4-nitro-N-[4-[(1-phenyl-1,2,3,4-tetrazol-5-yl)methylsulfanyl]phenyl]benzamide

Systemtic Name: 4-nitro-N-[4-[(1-phenyl-1,2,3,4-tetrazol-5-yl)methylsulfanyl]phenyl]benzamide Openeye Name: 4-nitro-N-[4-[(1-phenyltetrazol-5-yl)methylsulfanyl]phenyl]benzamide CAS Name: 4-nitro-N-[4-[(1-phenyl-5-tetrazolyl)methylthio]phenyl]benzamide IUPAC Name: 4-nitro-N-[4-[(1-phenyltetrazol-5-yl)methylsulfanyl]phenyl]benzamide Traditional Name: 4-nitro-N-[4-[(1-phenyltetrazol-5-yl)methylthio]phenyl]benzamide Formula: C21H16N6O3S MolecularWeight: 432.45514

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=N2)CSC3=CC=C(C=C3)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=N2)CSC3=CC=C(C=C3)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H16N6O3S/c28-21(15-6-10-18(11-7-15)27(29)30)22-16-8-12-19(13-9-16)31-14-20-23-24-25-26(20)17-4-2-1-3-5-17/h1-13H,14H2,(H,22,28)