3-(benzotriazol-1-ylmethyl)-4-(4-methoxyphenyl)-1H-1,2,4-triazole-5-thione

Systemtic Name: 3-(benzotriazol-1-ylmethyl)-4-(4-methoxyphenyl)-1H-1,2,4-triazole-5-thione Openeye Name: 3-(benzotriazol-1-ylmethyl)-4-(4-methoxyphenyl)-1H-1,2,4-triazole-5-thione CAS Name: 3-(1-benzotriazolylmethyl)-4-(4-methoxyphenyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 3-(benzotriazol-1-ylmethyl)-4-(4-methoxyphenyl)-1H-1,2,4-triazole-5-thione Traditional Name: 3-(benzotriazol-1-ylmethyl)-4-(4-methoxyphenyl)-1H-1,2,4-triazole-5-thione Formula: C16H14N6OS MolecularWeight: 338.38696

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=NNC2=S)CN3C4=CC=CC=C4N=N3

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=NNC2=S)CN3C4=CC=CC=C4N=N3

InChI

InChI=1S/C16H14N6OS/c1-23-12-8-6-11(7-9-12)22-15(18-19-16(22)24)10-21-14-5-3-2-4-13(14)17-20-21/h2-9H,10H2,1H3,(H,19,24)