1-(3-nitrophenyl)-N-(3-prop-2-ynylsulfanyl-1,2,4-triazol-4-yl)methanimine

Systemtic Name: 1-(3-nitrophenyl)-N-(3-prop-2-ynylsulfanyl-1,2,4-triazol-4-yl)methanimine Openeye Name: 1-(3-nitrophenyl)-N-(3-prop-2-ynylsulfanyl-1,2,4-triazol-4-yl)methanimine CAS Name: 1-(3-nitrophenyl)-N-[3-(prop-2-ynylthio)-1,2,4-triazol-4-yl]methanimine IUPAC Name: 1-(3-nitrophenyl)-N-(3-prop-2-ynylsulfanyl-1,2,4-triazol-4-yl)methanimine Traditional Name: (E)-(3-nitrobenzylidene)-[3-(propargylthio)-1,2,4-triazol-4-yl]amine Formula: C12H9N5O2S MolecularWeight: 287.29716

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Descriptors Computed from Structure

Canonical SMILES:

C#CCSC1=NN=CN1N=CC2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

C#CCSC1=NN=CN1/N=C/C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C12H9N5O2S/c1-2-6-20-12-15-13-9-16(12)14-8-10-4-3-5-11(7-10)17(18)19/h1,3-5,7-9H,6H2/b14-8+