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

Systemtic Name: N-(3-acetamidophenyl)-2-[(4-azanyl-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(3-acetamidophenyl)-2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-(3-acetamidophenyl)-2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(3-acetamidophenyl)-2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(3-acetamidophenyl)-2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)thio]acetamide Formula: C18H24N6O2S MolecularWeight: 388.48716

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=CC=C1)NC(=O)CSC2=NN=C(N2N)C3CCCCC3

Isomeric SMILES

CC(=O)NC1=CC(=CC=C1)NC(=O)CSC2=NN=C(N2N)C3CCCCC3

InChI

InChI=1S/C18H24N6O2S/c1-12(25)20-14-8-5-9-15(10-14)21-16(26)11-27-18-23-22-17(24(18)19)13-6-3-2-4-7-13/h5,8-10,13H,2-4,6-7,11,19H2,1H3,(H,20,25)(H,21,26)