(2R)-2-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-nitrophenyl)propanamide

Systemtic Name: (2R)-2-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-nitrophenyl)propanamide Openeye Name: (2R)-2-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-nitrophenyl)propanamide CAS Name: (2R)-2-[[4-cyclopropyl-5-(1-pyrrolidinyl)-1,2,4-triazol-3-yl]thio]-N-(3-nitrophenyl)propanamide IUPAC Name: (2R)-2-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-nitrophenyl)propanamide Traditional Name: (2R)-2-[(4-cyclopropyl-5-pyrrolidino-1,2,4-triazol-3-yl)thio]-N-(3-nitrophenyl)propionamide Formula: C18H22N6O3S MolecularWeight: 402.47068

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N6O3S/c1-12(16(25)19-13-5-4-6-15(11-13)24(26)27)28-18-21-20-17(22-9-2-3-10-22)23(18)14-7-8-14/h4-6,11-12,14H,2-3,7-10H2,1H3,(H,19,25)/t12-/m1/s1