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

Systemtic Name: methyl 3-[2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]-4-methyl-benzoate Openeye Name: methyl 3-[[2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-4-methyl-benzoate CAS Name: 3-[[2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[[2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-4-methylbenzoate Traditional Name: 3-[[2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)thio]acetyl]amino]-4-methyl-benzoic acid methyl ester Formula: C19H22N4O3S MolecularWeight: 386.46798

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CSC2=NN=C(N2C3CC3)C4CC4

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CSC2=NN=C(N2C3CC3)C4CC4

InChI

InChI=1S/C19H22N4O3S/c1-11-3-4-13(18(25)26-2)9-15(11)20-16(24)10-27-19-22-21-17(12-5-6-12)23(19)14-7-8-14/h3-4,9,12,14H,5-8,10H2,1-2H3,(H,20,24)