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

Systemtic Name: 2-[(4-azanyl-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-chloranyl-4-cyano-phenyl)ethanamide Openeye Name: 2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-chloro-4-cyano-phenyl)acetamide CAS Name: 2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)thio]-N-(3-chloro-4-cyanophenyl)acetamide IUPAC Name: 2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-chloro-4-cyanophenyl)acetamide Traditional Name: 2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)thio]-N-(3-chloro-4-cyano-phenyl)acetamide Formula: C17H19ClN6OS MolecularWeight: 390.89036

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=NN=C(N2N)SCC(=O)NC3=CC(=C(C=C3)C#N)Cl

Isomeric SMILES

C1CCC(CC1)C2=NN=C(N2N)SCC(=O)NC3=CC(=C(C=C3)C#N)Cl

InChI

InChI=1S/C17H19ClN6OS/c18-14-8-13(7-6-12(14)9-19)21-15(25)10-26-17-23-22-16(24(17)20)11-4-2-1-3-5-11/h6-8,11H,1-5,10,20H2,(H,21,25)