2-[2-[[5-(3-nitrophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethyl]pyridine

Systemtic Name: 2-[2-[[5-(3-nitrophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethyl]pyridine Openeye Name: 2-[2-[[4-allyl-5-(3-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]pyridine CAS Name: 2-[2-[[5-(3-nitrophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]ethyl]pyridine IUPAC Name: 2-[2-[[5-(3-nitrophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethyl]pyridine Traditional Name: 2-[2-[[4-allyl-5-(3-nitrophenyl)-1,2,4-triazol-3-yl]thio]ethyl]pyridine Formula: C18H17N5O2S MolecularWeight: 367.42488

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCCC2=CC=CC=N2)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C=CCN1C(=NN=C1SCCC2=CC=CC=N2)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H17N5O2S/c1-2-11-22-17(14-6-5-8-16(13-14)23(24)25)20-21-18(22)26-12-9-15-7-3-4-10-19-15/h2-8,10,13H,1,9,11-12H2