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

Systemtic Name: 2-[(4-azanyl-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3,4-dimethoxyphenyl)ethanamide Openeye Name: 2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3,4-dimethoxyphenyl)acetamide CAS Name: 2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)thio]-N-(3,4-dimethoxyphenyl)acetamide IUPAC Name: 2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3,4-dimethoxyphenyl)acetamide Traditional Name: 2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)thio]-N-(3,4-dimethoxyphenyl)acetamide Formula: C18H25N5O3S MolecularWeight: 391.4878

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)CSC2=NN=C(N2N)C3CCCCC3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)CSC2=NN=C(N2N)C3CCCCC3)OC

InChI

InChI=1S/C18H25N5O3S/c1-25-14-9-8-13(10-15(14)26-2)20-16(24)11-27-18-22-21-17(23(18)19)12-6-4-3-5-7-12/h8-10,12H,3-7,11,19H2,1-2H3,(H,20,24)