4-[5-[1-(3-nitrophenyl)ethylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]pyridine

Systemtic Name: 4-[5-[1-(3-nitrophenyl)ethylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]pyridine Openeye Name: 4-[5-[1-(3-nitrophenyl)ethylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]pyridine CAS Name: 4-[5-[1-(3-nitrophenyl)ethylthio]-4-phenyl-1,2,4-triazol-3-yl]pyridine IUPAC Name: 4-[5-[1-(3-nitrophenyl)ethylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]pyridine Traditional Name: 4-[5-[1-(3-nitrophenyl)ethylthio]-4-phenyl-1,2,4-triazol-3-yl]pyridine Formula: C21H17N5O2S MolecularWeight: 403.45698

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17N5O2S/c1-15(17-6-5-9-19(14-17)26(27)28)29-21-24-23-20(16-10-12-22-13-11-16)25(21)18-7-3-2-4-8-18/h2-15H,1H3