sodium 3-[(4E)-4-(phenylcarbamothioylhydrazinylidene)butyl]-6-propan-2-yl-azulene-1-carboxylate

Systemtic Name: sodium 3-[(4E)-4-(phenylcarbamothioylhydrazinylidene)butyl]-6-propan-2-yl-azulene-1-carboxylate Openeye Name: sodium 6-isopropyl-3-[(4E)-4-(phenylcarbamothioylhydrazono)butyl]azulene-1-carboxylate CAS Name: sodium 3-[(4E)-4-[[anilino(sulfanylidene)methyl]hydrazinylidene]butyl]-6-propan-2-yl-1-azulenecarboxylate IUPAC Name: sodium 3-[(4E)-4-(phenylcarbamothioylhydrazinylidene)butyl]-6-propan-2-ylazulene-1-carboxylate Traditional Name: sodium 6-isopropyl-3-[(4E)-4-(phenylthiocarbamoylhydrazono)butyl]azulene-1-carboxylate Formula: C25H26N3NaO2S MolecularWeight: 455.54761

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C2C(=C(C=C2CCCC=NNC(=S)NC3=CC=CC=C3)C(=O)[O-])C=C1.[Na+]

Isomeric SMILES

CC(C)C1=CC=C2C(=C(C=C2CCC/C=N/NC(=S)NC3=CC=CC=C3)C(=O)[O-])C=C1.[Na+]

InChI

InChI=1S/C25H27N3O2S.Na/c1-17(2)18-11-13-21-19(16-23(24(29)30)22(21)14-12-18)8-6-7-15-26-28-25(31)27-20-9-4-3-5-10-20;/h3-5,9-17H,6-8H2,1-2H3,(H,29,30)(H2,27,28,31);/q;+1/p-1/b26-15+;