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

Systemtic Name: 4-(1,3-benzodioxol-5-yl)-3-(3-phenyl-1H-pyrazol-5-yl)-1H-1,2,4-triazole-5-thione Openeye Name: 4-(1,3-benzodioxol-5-yl)-3-(3-phenyl-1H-pyrazol-5-yl)-1H-1,2,4-triazole-5-thione CAS Name: 4-(1,3-benzodioxol-5-yl)-3-(3-phenyl-1H-pyrazol-5-yl)-1H-1,2,4-triazole-5-thione IUPAC Name: 4-(1,3-benzodioxol-5-yl)-3-(3-phenyl-1H-pyrazol-5-yl)-1H-1,2,4-triazole-5-thione Traditional Name: 4-(1,3-benzodioxol-5-yl)-3-(3-phenyl-1H-pyrazol-5-yl)-1H-1,2,4-triazole-5-thione Formula: C18H13N5O2S MolecularWeight: 363.39312

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)N3C(=NNC3=S)C4=CC(=NN4)C5=CC=CC=C5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)N3C(=NNC3=S)C4=CC(=NN4)C5=CC=CC=C5

InChI

InChI=1S/C18H13N5O2S/c26-18-22-21-17(14-9-13(19-20-14)11-4-2-1-3-5-11)23(18)12-6-7-15-16(8-12)25-10-24-15/h1-9H,10H2,(H,19,20)(H,22,26)