2-[[5-(cyclopentylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methyl-6-nitro-phenyl)ethanamide

Systemtic Name: 2-[[5-(cyclopentylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methyl-6-nitro-phenyl)ethanamide Openeye Name: 2-[[5-(cyclopentylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methyl-6-nitro-phenyl)acetamide CAS Name: 2-[[5-(cyclopentylmethyl)-1H-1,2,4-triazol-3-yl]thio]-N-(2-methyl-6-nitrophenyl)acetamide IUPAC Name: 2-[[5-(cyclopentylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methyl-6-nitrophenyl)acetamide Traditional Name: 2-[[5-(cyclopentylmethyl)-1H-1,2,4-triazol-3-yl]thio]-N-(2-methyl-6-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/c1-11-5-4-8-13(22(24)25)16(11)19-15(23)10-26-17-18-14(20-21-17)9-12-6-2-3-7-12/h4-5,8,12H,2-3,6-7,9-10H2,1H3,(H,19,23)(H,18,20,21)