3-[5-[(3-cyanophenyl)methylsulfanyl]-4-(3-methylphenyl)-1,2,4-triazol-3-yl]-N-[(2-methoxyphenyl)methyl]propanamide

Systemtic Name: 3-[5-[(3-cyanophenyl)methylsulfanyl]-4-(3-methylphenyl)-1,2,4-triazol-3-yl]-N-[(2-methoxyphenyl)methyl]propanamide Openeye Name: 3-[5-[(3-cyanophenyl)methylsulfanyl]-4-(m-tolyl)-1,2,4-triazol-3-yl]-N-[(2-methoxyphenyl)methyl]propanamide CAS Name: 3-[5-[(3-cyanophenyl)methylthio]-4-(3-methylphenyl)-1,2,4-triazol-3-yl]-N-[(2-methoxyphenyl)methyl]propanamide IUPAC Name: 3-[5-[(3-cyanophenyl)methylsulfanyl]-4-(3-methylphenyl)-1,2,4-triazol-3-yl]-N-[(2-methoxyphenyl)methyl]propanamide Traditional Name: 3-[5-[(3-cyanobenzyl)thio]-4-(m-tolyl)-1,2,4-triazol-3-yl]-N-o-anisyl-propionamide Formula: C28H27N5O2S MolecularWeight: 497.61128

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=NN=C2SCC3=CC=CC(=C3)C#N)CCC(=O)NCC4=CC=CC=C4OC

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=NN=C2SCC3=CC=CC(=C3)C#N)CCC(=O)NCC4=CC=CC=C4OC

InChI

InChI=1S/C28H27N5O2S/c1-20-7-5-11-24(15-20)33-26(13-14-27(34)30-18-23-10-3-4-12-25(23)35-2)31-32-28(33)36-19-22-9-6-8-21(16-22)17-29/h3-12,15-16H,13-14,18-19H2,1-2H3,(H,30,34)