2-[[5-[[(4-methylphenyl)amino]methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: 2-[[5-[[(4-methylphenyl)amino]methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[4-allyl-5-[(4-methylanilino)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: 2-[[5-[(4-methylanilino)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: 2-[[5-[(4-methylanilino)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: 2-[[4-allyl-5-(p-toluidinomethyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C15H19N5OS MolecularWeight: 317.40926

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NCC2=NN=C(N2CC=C)SCC(=O)N

Isomeric SMILES

CC1=CC=C(C=C1)NCC2=NN=C(N2CC=C)SCC(=O)N

InChI

InChI=1S/C15H19N5OS/c1-3-8-20-14(18-19-15(20)22-10-13(16)21)9-17-12-6-4-11(2)5-7-12/h3-7,17H,1,8-10H2,2H3,(H2,16,21)