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

Systemtic Name: 4-[[4-methyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-3-nitro-benzenecarbonitrile Openeye Name: 4-[(5-benzyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-benzonitrile CAS Name: 4-[[4-methyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]-3-nitrobenzonitrile IUPAC Name: 4-[(5-benzyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitrobenzonitrile Traditional Name: 4-[(5-benzyl-4-methyl-1,2,4-triazol-3-yl)thio]-3-nitro-benzonitrile Formula: C17H13N5O2S MolecularWeight: 351.38242

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SC2=C(C=C(C=C2)C#N)[N+](=O)[O-])CC3=CC=CC=C3

Isomeric SMILES

CN1C(=NN=C1SC2=C(C=C(C=C2)C#N)[N+](=O)[O-])CC3=CC=CC=C3

InChI

InChI=1S/C17H13N5O2S/c1-21-16(10-12-5-3-2-4-6-12)19-20-17(21)25-15-8-7-13(11-18)9-14(15)22(23)24/h2-9H,10H2,1H3