methyl 3-[2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]-4-methyl-benzoate

Systemtic Name: methyl 3-[2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]-4-methyl-benzoate Openeye Name: methyl 3-[[2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-4-methyl-benzoate CAS Name: 3-[[2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[[2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-4-methylbenzoate Traditional Name: 3-[[2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)thio]acetyl]amino]-4-methyl-benzoic acid methyl ester Formula: C20H26N4O3S MolecularWeight: 402.51044

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CSC2=NN=C(N2C3CCCCC3)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CSC2=NN=C(N2C3CCCCC3)C

InChI

InChI=1S/C20H26N4O3S/c1-13-9-10-15(19(26)27-3)11-17(13)21-18(25)12-28-20-23-22-14(2)24(20)16-7-5-4-6-8-16/h9-11,16H,4-8,12H2,1-3H3,(H,21,25)