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

Systemtic Name: 3-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-nitrophenyl)propanamide Openeye Name: 3-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-nitrophenyl)propanamide CAS Name: 3-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)thio]-N-(4-nitrophenyl)propanamide IUPAC Name: 3-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-nitrophenyl)propanamide Traditional Name: 3-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)thio]-N-(4-nitrophenyl)propionamide Formula: C17H19N5O3S MolecularWeight: 373.42946

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN=C(N2C3CC3)SCCC(=O)NC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CC1C2=NN=C(N2C3CC3)SCCC(=O)NC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C17H19N5O3S/c23-15(18-12-3-5-14(6-4-12)22(24)25)9-10-26-17-20-19-16(11-1-2-11)21(17)13-7-8-13/h3-6,11,13H,1-2,7-10H2,(H,18,23)