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

Systemtic Name: N-(4-nitrophenyl)-3-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: N-(4-nitrophenyl)-3-[[4-phenyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: N-(4-nitrophenyl)-3-[[4-phenyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: N-(4-nitrophenyl)-3-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: N-(4-nitrophenyl)-3-[[4-phenyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]propionamide Formula: C22H18N6O3S MolecularWeight: 446.48172

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=C2SCCC(=O)NC3=CC=C(C=C3)[N+](=O)[O-])C4=CN=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=C2SCCC(=O)NC3=CC=C(C=C3)[N+](=O)[O-])C4=CN=CC=C4

InChI

InChI=1S/C22H18N6O3S/c29-20(24-17-8-10-19(11-9-17)28(30)31)12-14-32-22-26-25-21(16-5-4-13-23-15-16)27(22)18-6-2-1-3-7-18/h1-11,13,15H,12,14H2,(H,24,29)