3-[2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl-(2-methoxyphenyl)amino]propanamide

Systemtic Name: 3-[2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl-(2-methoxyphenyl)amino]propanamide Openeye Name: 3-(N-[2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-2-methoxy-anilino)propanamide CAS Name: 3-(N-[2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]-2-methoxyanilino)propanamide IUPAC Name: 3-(N-[2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-2-methoxyanilino)propanamide Traditional Name: 3-(N-[2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)thio]acetyl]-2-methoxy-anilino)propionamide Formula: C21H29N5O3S MolecularWeight: 431.55166

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C2CCCCC2)SCC(=O)N(CCC(=O)N)C3=CC=CC=C3OC

Isomeric SMILES

CC1=NN=C(N1C2CCCCC2)SCC(=O)N(CCC(=O)N)C3=CC=CC=C3OC

InChI

InChI=1S/C21H29N5O3S/c1-15-23-24-21(26(15)16-8-4-3-5-9-16)30-14-20(28)25(13-12-19(22)27)17-10-6-7-11-18(17)29-2/h6-7,10-11,16H,3-5,8-9,12-14H2,1-2H3,(H2,22,27)