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

Systemtic Name: 4-[5-[2-(3-nitrophenoxy)ethylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]pyridine Openeye Name: 4-[5-[2-(3-nitrophenoxy)ethylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]pyridine CAS Name: 4-[5-[2-(3-nitrophenoxy)ethylthio]-4-phenyl-1,2,4-triazol-3-yl]pyridine IUPAC Name: 4-[5-[2-(3-nitrophenoxy)ethylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]pyridine Traditional Name: 4-[5-[2-(3-nitrophenoxy)ethylthio]-4-phenyl-1,2,4-triazol-3-yl]pyridine Formula: C21H17N5O3S MolecularWeight: 419.45638

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=C2SCCOC3=CC=CC(=C3)[N+](=O)[O-])C4=CC=NC=C4

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=C2SCCOC3=CC=CC(=C3)[N+](=O)[O-])C4=CC=NC=C4

InChI

InChI=1S/C21H17N5O3S/c27-26(28)18-7-4-8-19(15-18)29-13-14-30-21-24-23-20(16-9-11-22-12-10-16)25(21)17-5-2-1-3-6-17/h1-12,15H,13-14H2