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

Systemtic Name: 2-[[4-azanyl-5-(2-cyclohexylethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-methoxyphenyl)ethanamide Openeye Name: 2-[[4-amino-5-(2-cyclohexylethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-methoxyphenyl)acetamide CAS Name: 2-[[4-amino-5-(2-cyclohexylethyl)-1,2,4-triazol-3-yl]thio]-N-(3-methoxyphenyl)acetamide IUPAC Name: 2-[[4-amino-5-(2-cyclohexylethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-methoxyphenyl)acetamide Traditional Name: 2-[[4-amino-5-(2-cyclohexylethyl)-1,2,4-triazol-3-yl]thio]-N-(3-methoxyphenyl)acetamide Formula: C19H27N5O2S MolecularWeight: 389.51498

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=O)CSC2=NN=C(N2N)CCC3CCCCC3

Isomeric SMILES

COC1=CC=CC(=C1)NC(=O)CSC2=NN=C(N2N)CCC3CCCCC3

InChI

InChI=1S/C19H27N5O2S/c1-26-16-9-5-8-15(12-16)21-18(25)13-27-19-23-22-17(24(19)20)11-10-14-6-3-2-4-7-14/h5,8-9,12,14H,2-4,6-7,10-11,13,20H2,1H3,(H,21,25)