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

Systemtic Name: propan-2-yl 2-[2-[(4-azanyl-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]benzoate Openeye Name: isopropyl 2-[[2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate CAS Name: 2-[[2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]benzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[[2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate Traditional Name: 2-[[2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)thio]acetyl]amino]benzoic acid isopropyl ester Formula: C20H27N5O3S MolecularWeight: 417.52508

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1=CC=CC=C1NC(=O)CSC2=NN=C(N2N)C3CCCCC3

Isomeric SMILES

CC(C)OC(=O)C1=CC=CC=C1NC(=O)CSC2=NN=C(N2N)C3CCCCC3

InChI

InChI=1S/C20H27N5O3S/c1-13(2)28-19(27)15-10-6-7-11-16(15)22-17(26)12-29-20-24-23-18(25(20)21)14-8-4-3-5-9-14/h6-7,10-11,13-14H,3-5,8-9,12,21H2,1-2H3,(H,22,26)