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

Systemtic Name: 2-[[5-(cyclopentylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methyl-4-nitro-phenyl)ethanamide Openeye Name: 2-[[5-(cyclopentylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methyl-4-nitro-phenyl)acetamide CAS Name: 2-[[5-(cyclopentylmethyl)-1H-1,2,4-triazol-3-yl]thio]-N-(2-methyl-4-nitrophenyl)acetamide IUPAC Name: 2-[[5-(cyclopentylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methyl-4-nitrophenyl)acetamide Traditional Name: 2-[[5-(cyclopentylmethyl)-1H-1,2,4-triazol-3-yl]thio]-N-(2-methyl-4-nitro-phenyl)acetamide Formula: C17H21N5O3S MolecularWeight: 375.44534

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)CSC2=NNC(=N2)CC3CCCC3

Isomeric SMILES

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)CSC2=NNC(=N2)CC3CCCC3

InChI

InChI=1S/C17H21N5O3S/c1-11-8-13(22(24)25)6-7-14(11)18-16(23)10-26-17-19-15(20-21-17)9-12-4-2-3-5-12/h6-8,12H,2-5,9-10H2,1H3,(H,18,23)(H,19,20,21)