3-(1,3-benzodioxol-5-yl)-4-(4-chlorophenyl)-1H-1,2,4-triazole-5-thione

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-4-(4-chlorophenyl)-1H-1,2,4-triazole-5-thione Openeye Name: 3-(1,3-benzodioxol-5-yl)-4-(4-chlorophenyl)-1H-1,2,4-triazole-5-thione CAS Name: 3-(1,3-benzodioxol-5-yl)-4-(4-chlorophenyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 3-(1,3-benzodioxol-5-yl)-4-(4-chlorophenyl)-1H-1,2,4-triazole-5-thione Traditional Name: 3-(1,3-benzodioxol-5-yl)-4-(4-chlorophenyl)-1H-1,2,4-triazole-5-thione Formula: C15H10ClN3O2S MolecularWeight: 331.7768

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=NNC(=S)N3C4=CC=C(C=C4)Cl

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=NNC(=S)N3C4=CC=C(C=C4)Cl

InChI

InChI=1S/C15H10ClN3O2S/c16-10-2-4-11(5-3-10)19-14(17-18-15(19)22)9-1-6-12-13(7-9)21-8-20-12/h1-7H,8H2,(H,18,22)