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

Systemtic Name: 2-[(4-azanyl-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methyl-3-nitro-phenyl)ethanamide Openeye Name: 2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methyl-3-nitro-phenyl)acetamide CAS Name: 2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)thio]-N-(2-methyl-3-nitrophenyl)acetamide IUPAC Name: 2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methyl-3-nitrophenyl)acetamide Traditional Name: 2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)thio]-N-(2-methyl-3-nitro-phenyl)acetamide Formula: C17H22N6O3S MolecularWeight: 390.45998

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)CSC2=NN=C(N2N)C3CCCCC3

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)CSC2=NN=C(N2N)C3CCCCC3

InChI

InChI=1S/C17H22N6O3S/c1-11-13(8-5-9-14(11)23(25)26)19-15(24)10-27-17-21-20-16(22(17)18)12-6-3-2-4-7-12/h5,8-9,12H,2-4,6-7,10,18H2,1H3,(H,19,24)