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

Systemtic Name: 2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(4-nitrophenyl)carbamoyl]propanamide Openeye Name: 2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(4-nitrophenyl)carbamoyl]propanamide CAS Name: 2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)thio]-N-[(4-nitroanilino)-oxomethyl]propanamide IUPAC Name: 2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(4-nitrophenyl)carbamoyl]propanamide Traditional Name: 2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)thio]-N-[(4-nitrophenyl)carbamoyl]propionamide Formula: C18H20N6O4S MolecularWeight: 416.4542

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC1=CC=C(C=C1)[N+](=O)[O-])SC2=NN=C(N2C3CC3)C4CC4

Isomeric SMILES

CC(C(=O)NC(=O)NC1=CC=C(C=C1)[N+](=O)[O-])SC2=NN=C(N2C3CC3)C4CC4

InChI

InChI=1S/C18H20N6O4S/c1-10(29-18-22-21-15(11-2-3-11)23(18)13-8-9-13)16(25)20-17(26)19-12-4-6-14(7-5-12)24(27)28/h4-7,10-11,13H,2-3,8-9H2,1H3,(H2,19,20,25,26)