3-[(4E)-4-[(4-chlorophenyl)carbamothioylhydrazinylidene]butyl]-6-propan-2-yl-azulene-1-carboxylic acid

Systemtic Name: 3-[(4E)-4-[(4-chlorophenyl)carbamothioylhydrazinylidene]butyl]-6-propan-2-yl-azulene-1-carboxylic acid Openeye Name: 3-[(4E)-4-[(4-chlorophenyl)carbamothioylhydrazono]butyl]-6-isopropyl-azulene-1-carboxylic acid CAS Name: 3-[(4E)-4-[[(4-chloroanilino)-sulfanylidenemethyl]hydrazinylidene]butyl]-6-propan-2-yl-1-azulenecarboxylic acid IUPAC Name: 3-[(4E)-4-[(4-chlorophenyl)carbamothioylhydrazinylidene]butyl]-6-propan-2-ylazulene-1-carboxylic acid Traditional Name: 3-[(4E)-4-[(4-chlorophenyl)thiocarbamoylhydrazono]butyl]-6-isopropyl-azulene-1-carboxylic acid Formula: C25H26ClN3O2S MolecularWeight: 468.01084

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C2C(=C(C=C2CCCC=NNC(=S)NC3=CC=C(C=C3)Cl)C(=O)O)C=C1

Isomeric SMILES

CC(C)C1=CC=C2C(=C(C=C2CCC/C=N/NC(=S)NC3=CC=C(C=C3)Cl)C(=O)O)C=C1

InChI

InChI=1S/C25H26ClN3O2S/c1-16(2)17-6-12-21-18(15-23(24(30)31)22(21)13-7-17)5-3-4-14-27-29-25(32)28-20-10-8-19(26)9-11-20/h6-16H,3-5H2,1-2H3,(H,30,31)(H2,28,29,32)/b27-14+