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

Systemtic Name: 3-(1,2-benzoxazol-3-ylmethyl)-4-(4-chlorophenyl)-1H-1,2,4-triazole-5-thione Openeye Name: 3-(1,2-benzoxazol-3-ylmethyl)-4-(4-chlorophenyl)-1H-1,2,4-triazole-5-thione CAS Name: 3-(1,2-benzoxazol-3-ylmethyl)-4-(4-chlorophenyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 3-(1,2-benzoxazol-3-ylmethyl)-4-(4-chlorophenyl)-1H-1,2,4-triazole-5-thione Traditional Name: 4-(4-chlorophenyl)-3-(indoxazen-3-ylmethyl)-1H-1,2,4-triazole-5-thione Formula: C16H11ClN4OS MolecularWeight: 342.80274

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NO2)CC3=NNC(=S)N3C4=CC=C(C=C4)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=NO2)CC3=NNC(=S)N3C4=CC=C(C=C4)Cl

InChI

InChI=1S/C16H11ClN4OS/c17-10-5-7-11(8-6-10)21-15(18-19-16(21)23)9-13-12-3-1-2-4-14(12)22-20-13/h1-8H,9H2,(H,19,23)