1-[4-methoxy-3-(pyridin-2-ylsulfanylmethyl)phenyl]-N-(1,2,4-triazol-1-yl)methanimine

Systemtic Name: 1-[4-methoxy-3-(pyridin-2-ylsulfanylmethyl)phenyl]-N-(1,2,4-triazol-1-yl)methanimine Openeye Name: 1-[4-methoxy-3-(2-pyridylsulfanylmethyl)phenyl]-N-(1,2,4-triazol-1-yl)methanimine CAS Name: 1-[4-methoxy-3-[(2-pyridinylthio)methyl]phenyl]-N-(1,2,4-triazol-1-yl)methanimine IUPAC Name: 1-[4-methoxy-3-(pyridin-2-ylsulfanylmethyl)phenyl]-N-(1,2,4-triazol-1-yl)methanimine Traditional Name: (E)-[4-methoxy-3-[(2-pyridylthio)methyl]benzylidene]-(1,2,4-triazol-1-yl)amine Formula: C16H15N5OS MolecularWeight: 325.3882

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=NN2C=NC=N2)CSC3=CC=CC=N3

Isomeric SMILES

COC1=C(C=C(C=C1)/C=N/N2C=NC=N2)CSC3=CC=CC=N3

InChI

InChI=1S/C16H15N5OS/c1-22-15-6-5-13(9-19-21-12-17-11-20-21)8-14(15)10-23-16-4-2-3-7-18-16/h2-9,11-12H,10H2,1H3/b19-9+