N-[2,5-dimethyl-3-[2-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)-3H-1,3-thiazol-4-yl]pyrrol-1-yl]-3-methyl-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: N-[2,5-dimethyl-3-[2-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)-3H-1,3-thiazol-4-yl]pyrrol-1-yl]-3-methyl-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: N-[2,5-dimethyl-3-[2-(4-oxocyclohexa-2,5-dien-1-ylidene)-3H-thiazol-4-yl]pyrrol-1-yl]-3-methyl-4-oxo-phthalazine-1-carboxamide CAS Name: N-[2,5-dimethyl-3-[2-(4-oxo-1-cyclohexa-2,5-dienylidene)-3H-thiazol-4-yl]-1-pyrrolyl]-3-methyl-4-oxo-1-phthalazinecarboxamide IUPAC Name: N-[2,5-dimethyl-3-[2-(4-oxocyclohexa-2,5-dien-1-ylidene)-3H-1,3-thiazol-4-yl]pyrrol-1-yl]-3-methyl-4-oxophthalazine-1-carboxamide Traditional Name: 4-keto-N-[3-[2-(4-ketocyclohexa-2,5-dien-1-ylidene)-4-thiazolin-4-yl]-2,5-dimethyl-pyrrol-1-yl]-3-methyl-phthalazine-1-carboxamide Formula: C25H21N5O3S MolecularWeight: 471.53094

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1NC(=O)C2=NN(C(=O)C3=CC=CC=C32)C)C)C4=CSC(=C5C=CC(=O)C=C5)N4

Isomeric SMILES

CC1=CC(=C(N1NC(=O)C2=NN(C(=O)C3=CC=CC=C32)C)C)C4=CSC(=C5C=CC(=O)C=C5)N4

InChI

InChI=1S/C25H21N5O3S/c1-14-12-20(21-13-34-24(26-21)16-8-10-17(31)11-9-16)15(2)30(14)28-23(32)22-18-6-4-5-7-19(18)25(33)29(3)27-22/h4-13,26H,1-3H3,(H,28,32)