N-(1,3-benzodioxol-5-yl)-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide Openeye Name: N-(1,3-benzodioxol-5-yl)-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide CAS Name: N-(1,3-benzodioxol-5-yl)-4-[(1H-1,2,4-triazol-5-ylthio)methyl]benzamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide Traditional Name: N-(1,3-benzodioxol-5-yl)-4-[(1H-1,2,4-triazol-5-ylthio)methyl]benzamide Formula: C17H14N4O3S MolecularWeight: 354.38306

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC(=O)C3=CC=C(C=C3)CSC4=NC=NN4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC(=O)C3=CC=C(C=C3)CSC4=NC=NN4

InChI

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