(2R)-N-cyclohexyl-N-methyl-2-[(5-oxidanylidene-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide

Systemtic Name: (2R)-N-cyclohexyl-N-methyl-2-[(5-oxidanylidene-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: (2R)-N-cyclohexyl-N-methyl-2-[(5-oxo-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide CAS Name: (2R)-N-cyclohexyl-N-methyl-2-[(5-oxo-4-phenethyl-1H-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: (2R)-N-cyclohexyl-N-methyl-2-[(5-oxo-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: (2R)-N-cyclohexyl-2-[(5-keto-4-phenethyl-1H-1,2,4-triazol-3-yl)thio]-N-methyl-propionamide Formula: C20H28N4O2S MolecularWeight: 388.52692

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(C)C1CCCCC1)SC2=NNC(=O)N2CCC3=CC=CC=C3

Isomeric SMILES

C[C@H](C(=O)N(C)C1CCCCC1)SC2=NNC(=O)N2CCC3=CC=CC=C3

InChI

InChI=1S/C20H28N4O2S/c1-15(18(25)23(2)17-11-7-4-8-12-17)27-20-22-21-19(26)24(20)14-13-16-9-5-3-6-10-16/h3,5-6,9-10,15,17H,4,7-8,11-14H2,1-2H3,(H,21,26)/t15-/m1/s1