N-(1-cyanocyclohexyl)-2-[[5-cyclopropyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-propanamide

Systemtic Name: N-(1-cyanocyclohexyl)-2-[[5-cyclopropyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-propanamide Openeye Name: 2-[(4-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1-cyanocyclohexyl)-N-methyl-propanamide CAS Name: N-(1-cyanocyclohexyl)-2-[[5-cyclopropyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]-N-methylpropanamide IUPAC Name: 2-[(4-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1-cyanocyclohexyl)-N-methylpropanamide Traditional Name: 2-[(4-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)thio]-N-(1-cyanocyclohexyl)-N-methyl-propionamide Formula: C23H29N5OS MolecularWeight: 423.57426

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(C)C1(CCCCC1)C#N)SC2=NN=C(N2CC3=CC=CC=C3)C4CC4

Isomeric SMILES

CC(C(=O)N(C)C1(CCCCC1)C#N)SC2=NN=C(N2CC3=CC=CC=C3)C4CC4

InChI

InChI=1S/C23H29N5OS/c1-17(21(29)27(2)23(16-24)13-7-4-8-14-23)30-22-26-25-20(19-11-12-19)28(22)15-18-9-5-3-6-10-18/h3,5-6,9-10,17,19H,4,7-8,11-15H2,1-2H3