2-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-ethoxy-2-nitro-phenyl)ethanamide

Systemtic Name: 2-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-ethoxy-2-nitro-phenyl)ethanamide Openeye Name: 2-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-ethoxy-2-nitro-phenyl)acetamide CAS Name: 2-[[4-cyclopropyl-5-(1-pyrrolidinyl)-1,2,4-triazol-3-yl]thio]-N-(4-ethoxy-2-nitrophenyl)acetamide IUPAC Name: 2-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-ethoxy-2-nitrophenyl)acetamide Traditional Name: 2-[(4-cyclopropyl-5-pyrrolidino-1,2,4-triazol-3-yl)thio]-N-(4-ethoxy-2-nitro-phenyl)acetamide Formula: C19H24N6O4S MolecularWeight: 432.49666

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1)NC(=O)CSC2=NN=C(N2C3CC3)N4CCCC4)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC(=C(C=C1)NC(=O)CSC2=NN=C(N2C3CC3)N4CCCC4)[N+](=O)[O-]

InChI

InChI=1S/C19H24N6O4S/c1-2-29-14-7-8-15(16(11-14)25(27)28)20-17(26)12-30-19-22-21-18(23-9-3-4-10-23)24(19)13-5-6-13/h7-8,11,13H,2-6,9-10,12H2,1H3,(H,20,26)