4-[[[3-(4-tert-butylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]amino]methylidene]cyclohexa-2,5-dien-1-one

Systemtic Name: 4-[[[3-(4-tert-butylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]amino]methylidene]cyclohexa-2,5-dien-1-one Openeye Name: 4-[[[3-(4-tert-butylphenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]amino]methylene]cyclohexa-2,5-dien-1-one CAS Name: 4-[[[3-(4-tert-butylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]amino]methylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 4-[[[3-(4-tert-butylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]amino]methylidene]cyclohexa-2,5-dien-1-one Traditional Name: 4-[[[3-(4-tert-butylphenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]amino]methylene]cyclohexa-2,5-dien-1-one Formula: C19H20N4OS MolecularWeight: 352.4533

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NNC(=S)N2NC=C3C=CC(=O)C=C3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NNC(=S)N2NC=C3C=CC(=O)C=C3

InChI

InChI=1S/C19H20N4OS/c1-19(2,3)15-8-6-14(7-9-15)17-21-22-18(25)23(17)20-12-13-4-10-16(24)11-5-13/h4-12,20H,1-3H3,(H,22,25)