N-(diphenylmethyl)-2-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-5-nitro-benzamide

Systemtic Name: N-(diphenylmethyl)-2-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-5-nitro-benzamide Openeye Name: N-benzhydryl-2-(1-methyltetrazol-5-yl)sulfanyl-5-nitro-benzamide CAS Name: N-(diphenylmethyl)-2-[(1-methyl-5-tetrazolyl)thio]-5-nitrobenzamide IUPAC Name: N-benzhydryl-2-(1-methyltetrazol-5-yl)sulfanyl-5-nitrobenzamide Traditional Name: N-benzhydryl-2-[(1-methyltetrazol-5-yl)thio]-5-nitro-benzamide Formula: C22H18N6O3S MolecularWeight: 446.48172

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=N1)SC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NC(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CN1C(=NN=N1)SC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NC(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C22H18N6O3S/c1-27-22(24-25-26-27)32-19-13-12-17(28(30)31)14-18(19)21(29)23-20(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-14,20H,1H3,(H,23,29)