2-[[4-(2,4-dimethylphenyl)-5-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(4-nitrophenyl)ethanamide

Systemtic Name: 2-[[4-(2,4-dimethylphenyl)-5-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(4-nitrophenyl)ethanamide Openeye Name: 2-[[4-(2,4-dimethylphenyl)-5-(6-oxocyclohexa-2,4-dien-1-ylidene)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(4-nitrophenyl)acetamide CAS Name: 2-[[4-(2,4-dimethylphenyl)-5-(6-oxo-1-cyclohexa-2,4-dienylidene)-1H-1,2,4-triazol-3-yl]thio]-N-(4-nitrophenyl)acetamide IUPAC Name: 2-[[4-(2,4-dimethylphenyl)-5-(6-oxocyclohexa-2,4-dien-1-ylidene)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(4-nitrophenyl)acetamide Traditional Name: 2-[[4-(2,4-dimethylphenyl)-5-(6-ketocyclohexa-2,4-dien-1-ylidene)-1H-1,2,4-triazol-3-yl]thio]-N-(4-nitrophenyl)acetamide Formula: C24H21N5O4S MolecularWeight: 475.51964

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C(=C3C=CC=CC3=O)NN=C2SCC(=O)NC4=CC=C(C=C4)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C=C1)N2C(=C3C=CC=CC3=O)NN=C2SCC(=O)NC4=CC=C(C=C4)[N+](=O)[O-])C

InChI

InChI=1S/C24H21N5O4S/c1-15-7-12-20(16(2)13-15)28-23(19-5-3-4-6-21(19)30)26-27-24(28)34-14-22(31)25-17-8-10-18(11-9-17)29(32)33/h3-13,26H,14H2,1-2H3,(H,25,31)