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

Systemtic Name: 2-[(4-azanyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-cyclohexyl-N-phenyl-ethanamide Openeye Name: 2-[[4-amino-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-cyclohexyl-N-phenyl-acetamide CAS Name: 2-[[4-amino-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]-N-cyclohexyl-N-phenylacetamide IUPAC Name: 2-[(4-amino-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-cyclohexyl-N-phenylacetamide Traditional Name: 2-[[4-amino-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]-N-cyclohexyl-N-phenyl-acetamide Formula: C21H24N6OS MolecularWeight: 408.51986

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N(C2=CC=CC=C2)C(=O)CSC3=NN=C(N3N)C4=CN=CC=C4

Isomeric SMILES

C1CCC(CC1)N(C2=CC=CC=C2)C(=O)CSC3=NN=C(N3N)C4=CN=CC=C4

InChI

InChI=1S/C21H24N6OS/c22-27-20(16-8-7-13-23-14-16)24-25-21(27)29-15-19(28)26(17-9-3-1-4-10-17)18-11-5-2-6-12-18/h1,3-4,7-10,13-14,18H,2,5-6,11-12,15,22H2