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

Systemtic Name: N-[1-(1,3-benzodioxol-5-yl)ethyl]-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide Openeye Name: N-[1-(1,3-benzodioxol-5-yl)ethyl]-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide CAS Name: N-[1-(1,3-benzodioxol-5-yl)ethyl]-4-[(1H-1,2,4-triazol-5-ylthio)methyl]benzamide IUPAC Name: N-[1-(1,3-benzodioxol-5-yl)ethyl]-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide Traditional Name: N-[1-(1,3-benzodioxol-5-yl)ethyl]-4-[(1H-1,2,4-triazol-5-ylthio)methyl]benzamide Formula: C19H18N4O3S MolecularWeight: 382.43622

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)OCO2)NC(=O)C3=CC=C(C=C3)CSC4=NC=NN4

Isomeric SMILES

CC(C1=CC2=C(C=C1)OCO2)NC(=O)C3=CC=C(C=C3)CSC4=NC=NN4

InChI

InChI=1S/C19H18N4O3S/c1-12(15-6-7-16-17(8-15)26-11-25-16)22-18(24)14-4-2-13(3-5-14)9-27-19-20-10-21-23-19/h2-8,10,12H,9,11H2,1H3,(H,22,24)(H,20,21,23)