3-(1,2-benzoxazol-3-ylmethyl)-4-(4-methylphenyl)-1H-1,2,4-triazole-5-thione

Systemtic Name: 3-(1,2-benzoxazol-3-ylmethyl)-4-(4-methylphenyl)-1H-1,2,4-triazole-5-thione Openeye Name: 3-(1,2-benzoxazol-3-ylmethyl)-4-(p-tolyl)-1H-1,2,4-triazole-5-thione CAS Name: 3-(1,2-benzoxazol-3-ylmethyl)-4-(4-methylphenyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 3-(1,2-benzoxazol-3-ylmethyl)-4-(4-methylphenyl)-1H-1,2,4-triazole-5-thione Traditional Name: 3-(indoxazen-3-ylmethyl)-4-(p-tolyl)-1H-1,2,4-triazole-5-thione Formula: C17H14N4OS MolecularWeight: 322.38426

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NNC2=S)CC3=NOC4=CC=CC=C43

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NNC2=S)CC3=NOC4=CC=CC=C43

InChI

InChI=1S/C17H14N4OS/c1-11-6-8-12(9-7-11)21-16(18-19-17(21)23)10-14-13-4-2-3-5-15(13)22-20-14/h2-9H,10H2,1H3,(H,19,23)