4-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-3-nitro-benzenecarbonitrile

Systemtic Name: 4-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-3-nitro-benzenecarbonitrile Openeye Name: 4-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-3-nitro-benzonitrile CAS Name: 4-[(5,6-diphenyl-1,2,4-triazin-3-yl)thio]-3-nitrobenzonitrile IUPAC Name: 4-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-3-nitrobenzonitrile Traditional Name: 4-[(5,6-diphenyl-1,2,4-triazin-3-yl)thio]-3-nitro-benzonitrile Formula: C22H13N5O2S MolecularWeight: 411.43592

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(N=NC(=N2)SC3=C(C=C(C=C3)C#N)[N+](=O)[O-])C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C2=C(N=NC(=N2)SC3=C(C=C(C=C3)C#N)[N+](=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C22H13N5O2S/c23-14-15-11-12-19(18(13-15)27(28)29)30-22-24-20(16-7-3-1-4-8-16)21(25-26-22)17-9-5-2-6-10-17/h1-13H