2-[(4-azanyl-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-piperidin-1-ylphenyl)ethanamide

Systemtic Name: 2-[(4-azanyl-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-piperidin-1-ylphenyl)ethanamide Openeye Name: 2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(1-piperidyl)phenyl]acetamide CAS Name: 2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)thio]-N-[4-(1-piperidinyl)phenyl]acetamide IUPAC Name: 2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-piperidin-1-ylphenyl)acetamide Traditional Name: 2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)thio]-N-(4-piperidinophenyl)acetamide Formula: C21H30N6OS MolecularWeight: 414.5675

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=NN=C(N2N)SCC(=O)NC3=CC=C(C=C3)N4CCCCC4

Isomeric SMILES

C1CCC(CC1)C2=NN=C(N2N)SCC(=O)NC3=CC=C(C=C3)N4CCCCC4

InChI

InChI=1S/C21H30N6OS/c22-27-20(16-7-3-1-4-8-16)24-25-21(27)29-15-19(28)23-17-9-11-18(12-10-17)26-13-5-2-6-14-26/h9-12,16H,1-8,13-15,22H2,(H,23,28)