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

Systemtic Name: N-(3-nitrophenyl)-2-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: N-(3-nitrophenyl)-2-[[4-phenyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: N-(3-nitrophenyl)-2-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: N-(3-nitrophenyl)-2-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: N-(3-nitrophenyl)-2-[[4-phenyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]propionamide Formula: C21H17N5O3S2 MolecularWeight: 451.52138

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])SC2=NN=C(N2C3=CC=CC=C3)C4=CC=CS4

Isomeric SMILES

CC(C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])SC2=NN=C(N2C3=CC=CC=C3)C4=CC=CS4

InChI

InChI=1S/C21H17N5O3S2/c1-14(20(27)22-15-7-5-10-17(13-15)26(28)29)31-21-24-23-19(18-11-6-12-30-18)25(21)16-8-3-2-4-9-16/h2-14H,1H3,(H,22,27)