2-[[4-azanyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(1-cyanocycloheptyl)ethanamide

Systemtic Name: 2-[[4-azanyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(1-cyanocycloheptyl)ethanamide Openeye Name: 2-[[4-amino-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(1-cyanocycloheptyl)acetamide CAS Name: 2-[[4-amino-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-N-(1-cyanocycloheptyl)acetamide IUPAC Name: 2-[[4-amino-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(1-cyanocycloheptyl)acetamide Traditional Name: 2-[[4-amino-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-N-(1-cyanocycloheptyl)acetamide Formula: C19H24N6O2S MolecularWeight: 400.49786

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=NN=C(N2N)SCC(=O)NC3(CCCCCC3)C#N

Isomeric SMILES

COC1=CC=CC=C1C2=NN=C(N2N)SCC(=O)NC3(CCCCCC3)C#N

InChI

InChI=1S/C19H24N6O2S/c1-27-15-9-5-4-8-14(15)17-23-24-18(25(17)21)28-12-16(26)22-19(13-20)10-6-2-3-7-11-19/h4-5,8-9H,2-3,6-7,10-12,21H2,1H3,(H,22,26)