2-[[4-ethyl-5-(4-nitrophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 2-[[4-ethyl-5-(4-nitrophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 2-[[4-ethyl-5-(4-nitrophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile CAS Name: 2-[[[4-ethyl-5-(4-nitrophenyl)-1,2,4-triazol-3-yl]thio]methyl]benzonitrile IUPAC Name: 2-[[4-ethyl-5-(4-nitrophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile Traditional Name: 2-[[[4-ethyl-5-(4-nitrophenyl)-1,2,4-triazol-3-yl]thio]methyl]benzonitrile Formula: C18H15N5O2S MolecularWeight: 365.409

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=CC=CC=C2C#N)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCN1C(=NN=C1SCC2=CC=CC=C2C#N)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H15N5O2S/c1-2-22-17(13-7-9-16(10-8-13)23(24)25)20-21-18(22)26-12-15-6-4-3-5-14(15)11-19/h3-10H,2,12H2,1H3