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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=O)C(C)SC2=NN=C(N2N)C3=CC=C(C=C3)OC

Isomeric SMILES

CC1CCCCC1NC(=O)C(C)SC2=NN=C(N2N)C3=CC=C(C=C3)OC

InChI

InChI=1S/C19H27N5O2S/c1-12-6-4-5-7-16(12)21-18(25)13(2)27-19-23-22-17(24(19)20)14-8-10-15(26-3)11-9-14/h8-13,16H,4-7,20H2,1-3H3,(H,21,25)