methyl 3-[3,3-dicyano-1-[4-(dicyanomethylidene)cyclohexa-2,5-dien-1-ylidene]-2-thiophen-2-yl-prop-2-enyl]-7-propan-2-yl-azulene-1-carboxylate

Systemtic Name: methyl 3-[3,3-dicyano-1-[4-(dicyanomethylidene)cyclohexa-2,5-dien-1-ylidene]-2-thiophen-2-yl-prop-2-enyl]-7-propan-2-yl-azulene-1-carboxylate Openeye Name: methyl 3-[3,3-dicyano-1-[4-(dicyanomethylene)cyclohexa-2,5-dien-1-ylidene]-2-(2-thienyl)allyl]-7-isopropyl-azulene-1-carboxylate CAS Name: 3-[3,3-dicyano-1-[4-(dicyanomethylidene)-1-cyclohexa-2,5-dienylidene]-2-thiophen-2-ylprop-2-enyl]-7-propan-2-yl-1-azulenecarboxylic acid methyl ester IUPAC Name: methyl 3-[3,3-dicyano-1-[4-(dicyanomethylidene)cyclohexa-2,5-dien-1-ylidene]-2-thiophen-2-ylprop-2-enyl]-7-propan-2-ylazulene-1-carboxylate Traditional Name: 3-[3,3-dicyano-1-[4-(dicyanomethylene)cyclohexa-2,5-dien-1-ylidene]-2-(2-thienyl)allyl]-7-isopropyl-azulene-1-carboxylic acid methyl ester Formula: C33H22N4O2S MolecularWeight: 538.61838

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC2=C(C=C(C2=C1)C(=O)OC)C(=C3C=CC(=C(C#N)C#N)C=C3)C(=C(C#N)C#N)C4=CC=CS4

Isomeric SMILES

CC(C)C1=CC=CC2=C(C=C(C2=C1)C(=O)OC)C(=C3C=CC(=C(C#N)C#N)C=C3)C(=C(C#N)C#N)C4=CC=CS4

InChI

InChI=1S/C33H22N4O2S/c1-20(2)23-6-4-7-26-27(14-23)29(33(38)39-3)15-28(26)31(22-11-9-21(10-12-22)24(16-34)17-35)32(25(18-36)19-37)30-8-5-13-40-30/h4-15,20H,1-3H3