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

Systemtic Name: 4-(1,3-benzodioxol-5-yl)-3-(phenylmethyl)-1H-1,2,4-triazole-5-thione Openeye Name: 4-(1,3-benzodioxol-5-yl)-3-benzyl-1H-1,2,4-triazole-5-thione CAS Name: 4-(1,3-benzodioxol-5-yl)-3-(phenylmethyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 4-(1,3-benzodioxol-5-yl)-3-benzyl-1H-1,2,4-triazole-5-thione Traditional Name: 4-(1,3-benzodioxol-5-yl)-3-benzyl-1H-1,2,4-triazole-5-thione Formula: C16H13N3O2S MolecularWeight: 311.35832

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)N3C(=NNC3=S)CC4=CC=CC=C4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)N3C(=NNC3=S)CC4=CC=CC=C4

InChI

InChI=1S/C16H13N3O2S/c22-16-18-17-15(8-11-4-2-1-3-5-11)19(16)12-6-7-13-14(9-12)21-10-20-13/h1-7,9H,8,10H2,(H,18,22)