3-[[4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2,3-benzotriazin-4-one

Systemtic Name: 3-[[4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2,3-benzotriazin-4-one Openeye Name: 3-[[4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2,3-benzotriazin-4-one CAS Name: 3-[[[4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]methyl]-1,2,3-benzotriazin-4-one IUPAC Name: 3-[[4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2,3-benzotriazin-4-one Traditional Name: 3-[[[4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]methyl]-1,2,3-benzotriazin-4-one Formula: C17H14N6O2S MolecularWeight: 366.39706

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C=NN=C2SCN3C(=O)C4=CC=CC=C4N=N3

Isomeric SMILES

COC1=CC=C(C=C1)N2C=NN=C2SCN3C(=O)C4=CC=CC=C4N=N3

InChI

InChI=1S/C17H14N6O2S/c1-25-13-8-6-12(7-9-13)22-10-18-20-17(22)26-11-23-16(24)14-4-2-3-5-15(14)19-21-23/h2-10H,11H2,1H3