N-[[5-[(3-methylphenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]pyridine-2-carboxamide

Systemtic Name: N-[[5-[(3-methylphenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]pyridine-2-carboxamide Openeye Name: N-[[4-allyl-5-(m-tolylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]pyridine-2-carboxamide CAS Name: N-[[5-[(3-methylphenyl)methylthio]-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]-2-pyridinecarboxamide IUPAC Name: N-[[5-[(3-methylphenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]pyridine-2-carboxamide Traditional Name: N-[[4-allyl-5-[(3-methylbenzyl)thio]-1,2,4-triazol-3-yl]methyl]picolinamide Formula: C20H21N5OS MolecularWeight: 379.47864

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CSC2=NN=C(N2CC=C)CNC(=O)C3=CC=CC=N3

Isomeric SMILES

CC1=CC(=CC=C1)CSC2=NN=C(N2CC=C)CNC(=O)C3=CC=CC=N3

InChI

InChI=1S/C20H21N5OS/c1-3-11-25-18(13-22-19(26)17-9-4-5-10-21-17)23-24-20(25)27-14-16-8-6-7-15(2)12-16/h3-10,12H,1,11,13-14H2,2H3,(H,22,26)