N-[(2-methoxyphenyl)methyl]-3-[5-(phenylmethylsulfanyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]propanamide

Systemtic Name: N-[(2-methoxyphenyl)methyl]-3-[5-(phenylmethylsulfanyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]propanamide Openeye Name: 3-(4-allyl-5-benzylsulfanyl-1,2,4-triazol-3-yl)-N-[(2-methoxyphenyl)methyl]propanamide CAS Name: N-[(2-methoxyphenyl)methyl]-3-[5-(phenylmethylthio)-4-prop-2-enyl-1,2,4-triazol-3-yl]propanamide IUPAC Name: 3-(5-benzylsulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl)-N-[(2-methoxyphenyl)methyl]propanamide Traditional Name: 3-[4-allyl-5-(benzylthio)-1,2,4-triazol-3-yl]-N-o-anisyl-propionamide Formula: C23H26N4O2S MolecularWeight: 422.54314

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CNC(=O)CCC2=NN=C(N2CC=C)SCC3=CC=CC=C3

Isomeric SMILES

COC1=CC=CC=C1CNC(=O)CCC2=NN=C(N2CC=C)SCC3=CC=CC=C3

InChI

InChI=1S/C23H26N4O2S/c1-3-15-27-21(25-26-23(27)30-17-18-9-5-4-6-10-18)13-14-22(28)24-16-19-11-7-8-12-20(19)29-2/h3-12H,1,13-17H2,2H3,(H,24,28)