2-[[4-ethyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-5-nitro-benzenecarbonitrile

Systemtic Name: 2-[[4-ethyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-5-nitro-benzenecarbonitrile Openeye Name: 2-[[4-ethyl-5-(o-tolyl)-1,2,4-triazol-3-yl]sulfanyl]-5-nitro-benzonitrile CAS Name: 2-[[4-ethyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]thio]-5-nitrobenzonitrile IUPAC Name: 2-[[4-ethyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-5-nitrobenzonitrile Traditional Name: 2-[[4-ethyl-5-(o-tolyl)-1,2,4-triazol-3-yl]thio]-5-nitro-benzonitrile Formula: C18H15N5O2S MolecularWeight: 365.409

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SC2=C(C=C(C=C2)[N+](=O)[O-])C#N)C3=CC=CC=C3C

Isomeric SMILES

CCN1C(=NN=C1SC2=C(C=C(C=C2)[N+](=O)[O-])C#N)C3=CC=CC=C3C

InChI

InChI=1S/C18H15N5O2S/c1-3-22-17(15-7-5-4-6-12(15)2)20-21-18(22)26-16-9-8-14(23(24)25)10-13(16)11-19/h4-10H,3H2,1-2H3