N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide

Systemtic Name: N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide Openeye Name: N-[(4-allyloxyphenyl)methyl]-N-methyl-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide CAS Name: N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]-4-[(1H-1,2,4-triazol-5-ylthio)methyl]benzamide IUPAC Name: N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide Traditional Name: N-(4-allyloxybenzyl)-N-methyl-4-[(1H-1,2,4-triazol-5-ylthio)methyl]benzamide Formula: C21H22N4O2S MolecularWeight: 394.48998

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(C=C1)OCC=C)C(=O)C2=CC=C(C=C2)CSC3=NC=NN3

Isomeric SMILES

CN(CC1=CC=C(C=C1)OCC=C)C(=O)C2=CC=C(C=C2)CSC3=NC=NN3

InChI

InChI=1S/C21H22N4O2S/c1-3-12-27-19-10-6-16(7-11-19)13-25(2)20(26)18-8-4-17(5-9-18)14-28-21-22-15-23-24-21/h3-11,15H,1,12-14H2,2H3,(H,22,23,24)