2-[[5-[(1S)-1-(dimethylamino)ethyl]-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methylcyclohexyl)ethanamide

Systemtic Name: 2-[[5-[(1S)-1-(dimethylamino)ethyl]-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methylcyclohexyl)ethanamide Openeye Name: 2-[[5-[(1S)-1-(dimethylamino)ethyl]-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methylcyclohexyl)acetamide CAS Name: 2-[[5-[(1S)-1-(dimethylamino)ethyl]-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]thio]-N-(4-methylcyclohexyl)acetamide IUPAC Name: 2-[[5-[(1S)-1-(dimethylamino)ethyl]-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methylcyclohexyl)acetamide Traditional Name: 2-[[5-[(1S)-1-(dimethylamino)ethyl]-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]thio]-N-(4-methylcyclohexyl)acetamide Formula: C21H30FN5OS MolecularWeight: 419.559203

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)NC(=O)CSC2=NN=C(N2C3=CC=C(C=C3)F)C(C)N(C)C

Isomeric SMILES

CC1CCC(CC1)NC(=O)CSC2=NN=C(N2C3=CC=C(C=C3)F)[C@H](C)N(C)C

InChI

InChI=1S/C21H30FN5OS/c1-14-5-9-17(10-6-14)23-19(28)13-29-21-25-24-20(15(2)26(3)4)27(21)18-11-7-16(22)8-12-18/h7-8,11-12,14-15,17H,5-6,9-10,13H2,1-4H3,(H,23,28)/t14?,15-,17?/m0/s1