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

Systemtic Name: N-(2-chloranyl-4-nitro-phenyl)-2-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: N-(2-chloro-4-nitro-phenyl)-2-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide CAS Name: N-(2-chloro-4-nitrophenyl)-2-[[4-cyclopropyl-5-(1-pyrrolidinyl)-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: N-(2-chloro-4-nitrophenyl)-2-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: N-(2-chloro-4-nitro-phenyl)-2-[(4-cyclopropyl-5-pyrrolidino-1,2,4-triazol-3-yl)thio]propionamide Formula: C18H21ClN6O3S MolecularWeight: 436.91574

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])Cl)SC2=NN=C(N2C3CC3)N4CCCC4

Isomeric SMILES

CC(C(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])Cl)SC2=NN=C(N2C3CC3)N4CCCC4

InChI

InChI=1S/C18H21ClN6O3S/c1-11(16(26)20-15-7-6-13(25(27)28)10-14(15)19)29-18-22-21-17(23-8-2-3-9-23)24(18)12-4-5-12/h6-7,10-12H,2-5,8-9H2,1H3,(H,20,26)