1-(1,3-benzodioxol-5-yl)-N-[3-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]methanimine

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-N-[3-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]methanimine Openeye Name: 1-(1,3-benzodioxol-5-yl)-N-(3-benzylsulfanyl-1,2,4-triazol-4-yl)methanimine CAS Name: 1-(1,3-benzodioxol-5-yl)-N-[3-(phenylmethylthio)-1,2,4-triazol-4-yl]methanimine IUPAC Name: 1-(1,3-benzodioxol-5-yl)-N-(3-benzylsulfanyl-1,2,4-triazol-4-yl)methanimine Traditional Name: (E)-[3-(benzylthio)-1,2,4-triazol-4-yl]-piperonylidene-amine Formula: C17H14N4O2S MolecularWeight: 338.38366

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C=NN3C=NN=C3SCC4=CC=CC=C4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)/C=N/N3C=NN=C3SCC4=CC=CC=C4

InChI

InChI=1S/C17H14N4O2S/c1-2-4-13(5-3-1)10-24-17-20-18-11-21(17)19-9-14-6-7-15-16(8-14)23-12-22-15/h1-9,11H,10,12H2/b19-9+