3-[[4-(2-methylphenyl)-5-sulfanylidene-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1,2,3-benzotriazin-4-one

Systemtic Name: 3-[[4-(2-methylphenyl)-5-sulfanylidene-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1,2,3-benzotriazin-4-one Openeye Name: 3-[[4-(o-tolyl)-5-thioxo-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1,2,3-benzotriazin-4-one CAS Name: 3-[[[4-(2-methylphenyl)-5-sulfanylidene-1,3,4-thiadiazol-2-yl]thio]methyl]-1,2,3-benzotriazin-4-one IUPAC Name: 3-[[4-(2-methylphenyl)-5-sulfanylidene-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1,2,3-benzotriazin-4-one Traditional Name: 3-[[[4-(o-tolyl)-5-thioxo-1,3,4-thiadiazol-2-yl]thio]methyl]-1,2,3-benzotriazin-4-one Formula: C17H13N5OS3 MolecularWeight: 399.51302

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=S)SC(=N2)SCN3C(=O)C4=CC=CC=C4N=N3

Isomeric SMILES

CC1=CC=CC=C1N2C(=S)SC(=N2)SCN3C(=O)C4=CC=CC=C4N=N3

InChI

InChI=1S/C17H13N5OS3/c1-11-6-2-5-9-14(11)22-17(24)26-16(19-22)25-10-21-15(23)12-7-3-4-8-13(12)18-20-21/h2-9H,10H2,1H3