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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])SC2=NN=C(N2N)C3CCCCC3

Isomeric SMILES

CC(C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])SC2=NN=C(N2N)C3CCCCC3

InChI

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