3-[4-(furan-2-ylmethyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]pyridine

Systemtic Name: 3-[4-(furan-2-ylmethyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]pyridine Openeye Name: 3-[4-(2-furylmethyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]pyridine CAS Name: 3-[4-(2-furanylmethyl)-5-[(4-nitrophenyl)methylthio]-1,2,4-triazol-3-yl]pyridine IUPAC Name: 3-[4-(furan-2-ylmethyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]pyridine Traditional Name: 3-[4-(2-furfuryl)-5-[(4-nitrobenzyl)thio]-1,2,4-triazol-3-yl]pyridine Formula: C19H15N5O3S MolecularWeight: 393.4191

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C2=NN=C(N2CC3=CC=CO3)SCC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CN=C1)C2=NN=C(N2CC3=CC=CO3)SCC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C19H15N5O3S/c25-24(26)16-7-5-14(6-8-16)13-28-19-22-21-18(15-3-1-9-20-11-15)23(19)12-17-4-2-10-27-17/h1-11H,12-13H2