N-[(1R,2S)-2-methylcyclohexyl]-2-[(4-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-[(1R,2S)-2-methylcyclohexyl]-2-[(4-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-[(1R,2S)-2-methylcyclohexyl]-2-[[4-methyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-[(1R,2S)-2-methylcyclohexyl]-2-[[4-methyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-[(1R,2S)-2-methylcyclohexyl]-2-[(4-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-[(1R,2S)-2-methylcyclohexyl]-2-[[4-methyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C17H23N5OS MolecularWeight: 345.46242

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=O)CSC2=NN=C(N2C)C3=CN=CC=C3

Isomeric SMILES

C[C@H]1CCCC[C@H]1NC(=O)CSC2=NN=C(N2C)C3=CN=CC=C3

InChI

InChI=1S/C17H23N5OS/c1-12-6-3-4-8-14(12)19-15(23)11-24-17-21-20-16(22(17)2)13-7-5-9-18-10-13/h5,7,9-10,12,14H,3-4,6,8,11H2,1-2H3,(H,19,23)/t12-,14+/m0/s1