3-[(4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzamide

Systemtic Name: 3-[(4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzamide Openeye Name: 3-[(4-allyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzamide CAS Name: 3-[[(4-prop-2-enyl-1,2,4-triazol-3-yl)thio]methyl]benzamide IUPAC Name: 3-[(4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzamide Traditional Name: 3-[[(4-allyl-1,2,4-triazol-3-yl)thio]methyl]benzamide Formula: C13H14N4OS MolecularWeight: 274.34146

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C=NN=C1SCC2=CC=CC(=C2)C(=O)N

Isomeric SMILES

C=CCN1C=NN=C1SCC2=CC=CC(=C2)C(=O)N

InChI

InChI=1S/C13H14N4OS/c1-2-6-17-9-15-16-13(17)19-8-10-4-3-5-11(7-10)12(14)18/h2-5,7,9H,1,6,8H2,(H2,14,18)