2-[[4-azanyl-5-(naphthalen-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(1-cyanocyclohexyl)ethanamide

Systemtic Name: 2-[[4-azanyl-5-(naphthalen-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(1-cyanocyclohexyl)ethanamide Openeye Name: 2-[[4-amino-5-(1-naphthylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(1-cyanocyclohexyl)acetamide CAS Name: 2-[[4-amino-5-(1-naphthalenylmethyl)-1,2,4-triazol-3-yl]thio]-N-(1-cyanocyclohexyl)acetamide IUPAC Name: 2-[[4-amino-5-(naphthalen-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(1-cyanocyclohexyl)acetamide Traditional Name: 2-[[4-amino-5-(1-naphthylmethyl)-1,2,4-triazol-3-yl]thio]-N-(1-cyanocyclohexyl)acetamide Formula: C22H24N6OS MolecularWeight: 420.53056

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(C#N)NC(=O)CSC2=NN=C(N2N)CC3=CC=CC4=CC=CC=C43

Isomeric SMILES

C1CCC(CC1)(C#N)NC(=O)CSC2=NN=C(N2N)CC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C22H24N6OS/c23-15-22(11-4-1-5-12-22)25-20(29)14-30-21-27-26-19(28(21)24)13-17-9-6-8-16-7-2-3-10-18(16)17/h2-3,6-10H,1,4-5,11-14,24H2,(H,25,29)