2-[(4-azanyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1-cyanocyclohexyl)propanamide

Systemtic Name: 2-[(4-azanyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1-cyanocyclohexyl)propanamide Openeye Name: 2-[(4-amino-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1-cyanocyclohexyl)propanamide CAS Name: 2-[(4-amino-5-phenyl-1,2,4-triazol-3-yl)thio]-N-(1-cyanocyclohexyl)propanamide IUPAC Name: 2-[(4-amino-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1-cyanocyclohexyl)propanamide Traditional Name: 2-[(4-amino-5-phenyl-1,2,4-triazol-3-yl)thio]-N-(1-cyanocyclohexyl)propionamide Formula: C18H22N6OS MolecularWeight: 370.47188

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1(CCCCC1)C#N)SC2=NN=C(N2N)C3=CC=CC=C3

Isomeric SMILES

CC(C(=O)NC1(CCCCC1)C#N)SC2=NN=C(N2N)C3=CC=CC=C3

InChI

InChI=1S/C18H22N6OS/c1-13(16(25)21-18(12-19)10-6-3-7-11-18)26-17-23-22-15(24(17)20)14-8-4-2-5-9-14/h2,4-5,8-9,13H,3,6-7,10-11,20H2,1H3,(H,21,25)