N-(1,3-benzodioxol-5-yl)-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-[(1-phenyl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-[(1-phenyl-1,2,4-triazol-3-yl)thio]acetamide Formula: C17H14N4O3S MolecularWeight: 354.38306

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC(=O)CSC3=NN(C=N3)C4=CC=CC=C4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC(=O)CSC3=NN(C=N3)C4=CC=CC=C4

InChI

InChI=1S/C17H14N4O3S/c22-16(19-12-6-7-14-15(8-12)24-11-23-14)9-25-17-18-10-21(20-17)13-4-2-1-3-5-13/h1-8,10H,9,11H2,(H,19,22)