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

Systemtic Name: 2-[2-[(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl-methyl-amino]-N-(4-methylphenyl)ethanamide Openeye Name: 2-[[2-[(4-allyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-methyl-amino]-N-(p-tolyl)acetamide CAS Name: 2-[[2-[(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide IUPAC Name: 2-[[2-[(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-methylamino]-N-(4-methylphenyl)acetamide Traditional Name: 2-[[2-[(4-allyl-5-cyclopropyl-1,2,4-triazol-3-yl)thio]acetyl]-methyl-amino]-N-(p-tolyl)acetamide Formula: C20H25N5O2S MolecularWeight: 399.5098

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CN(C)C(=O)CSC2=NN=C(N2CC=C)C3CC3

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CN(C)C(=O)CSC2=NN=C(N2CC=C)C3CC3

InChI

InChI=1S/C20H25N5O2S/c1-4-11-25-19(15-7-8-15)22-23-20(25)28-13-18(27)24(3)12-17(26)21-16-9-5-14(2)6-10-16/h4-6,9-10,15H,1,7-8,11-13H2,2-3H3,(H,21,26)