3-[[4-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-1,3-benzothiazol-2-one

Systemtic Name: 3-[[4-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-1,3-benzothiazol-2-one Openeye Name: 3-[[4-(p-tolyl)-5-thioxo-1H-1,2,4-triazol-3-yl]methyl]-1,3-benzothiazol-2-one CAS Name: 3-[[4-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-1,3-benzothiazol-2-one IUPAC Name: 3-[[4-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-1,3-benzothiazol-2-one Traditional Name: 3-[[4-(p-tolyl)-5-thioxo-1H-1,2,4-triazol-3-yl]methyl]-1,3-benzothiazol-2-one Formula: C17H14N4OS2 MolecularWeight: 354.44926

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NNC2=S)CN3C4=CC=CC=C4SC3=O

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NNC2=S)CN3C4=CC=CC=C4SC3=O

InChI

InChI=1S/C17H14N4OS2/c1-11-6-8-12(9-7-11)21-15(18-19-16(21)23)10-20-13-4-2-3-5-14(13)24-17(20)22/h2-9H,10H2,1H3,(H,19,23)