N-(1,3-benzodioxol-5-ylmethyl)-3-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]benzamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NN1)SCC2=CC=CC(=C2)C(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=NC(=NN1)SCC2=CC=CC(=C2)C(=O)NCC3=CC4=C(C=C3)OCO4

InChI

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