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

Systemtic Name: N-(2-methylphenyl)-2-[2-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl-propyl-amino]ethanamide Openeye Name: 2-[[2-[(4-allyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-propyl-amino]-N-(o-tolyl)acetamide CAS Name: N-(2-methylphenyl)-2-[[2-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]-propylamino]acetamide IUPAC Name: N-(2-methylphenyl)-2-[[2-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-propylamino]acetamide Traditional Name: 2-[[2-[(4-allyl-5-methyl-1,2,4-triazol-3-yl)thio]acetyl]-propyl-amino]-N-(o-tolyl)acetamide Formula: C20H27N5O2S MolecularWeight: 401.52568

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC(=O)NC1=CC=CC=C1C)C(=O)CSC2=NN=C(N2CC=C)C

Isomeric SMILES

CCCN(CC(=O)NC1=CC=CC=C1C)C(=O)CSC2=NN=C(N2CC=C)C

InChI

InChI=1S/C20H27N5O2S/c1-5-11-24(13-18(26)21-17-10-8-7-9-15(17)3)19(27)14-28-20-23-22-16(4)25(20)12-6-2/h6-10H,2,5,11-14H2,1,3-4H3,(H,21,26)