2-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-methyl-N-(4-nitrophenyl)ethanamide

Systemtic Name: 2-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-methyl-N-(4-nitrophenyl)ethanamide Openeye Name: 2-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-methyl-N-(4-nitrophenyl)acetamide CAS Name: 2-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)thio]-N-methyl-N-(4-nitrophenyl)acetamide IUPAC Name: 2-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-methyl-N-(4-nitrophenyl)acetamide Traditional Name: 2-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)thio]-N-methyl-N-(4-nitrophenyl)acetamide Formula: C16H19N5O3S MolecularWeight: 361.41876

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=C(C=C1)[N+](=O)[O-])C(=O)CSC2=NNC(=N2)C3CCCC3

Isomeric SMILES

CN(C1=CC=C(C=C1)[N+](=O)[O-])C(=O)CSC2=NNC(=N2)C3CCCC3

InChI

InChI=1S/C16H19N5O3S/c1-20(12-6-8-13(9-7-12)21(23)24)14(22)10-25-16-17-15(18-19-16)11-4-2-3-5-11/h6-9,11H,2-5,10H2,1H3,(H,17,18,19)