5-(3-nitro-4-phenylazanyl-phenyl)-3-(phenylazanylmethyl)-1,3,4-oxadiazole-2-thione

Systemtic Name: 5-(3-nitro-4-phenylazanyl-phenyl)-3-(phenylazanylmethyl)-1,3,4-oxadiazole-2-thione Openeye Name: 3-(anilinomethyl)-5-(4-anilino-3-nitro-phenyl)-1,3,4-oxadiazole-2-thione CAS Name: 3-(anilinomethyl)-5-(4-anilino-3-nitrophenyl)-1,3,4-oxadiazole-2-thione IUPAC Name: 3-(anilinomethyl)-5-(4-anilino-3-nitrophenyl)-1,3,4-oxadiazole-2-thione Traditional Name: 3-(anilinomethyl)-5-(4-anilino-3-nitro-phenyl)-1,3,4-oxadiazole-2-thione Formula: C21H17N5O3S MolecularWeight: 419.45638

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NCN2C(=S)OC(=N2)C3=CC(=C(C=C3)NC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)NCN2C(=S)OC(=N2)C3=CC(=C(C=C3)NC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H17N5O3S/c27-26(28)19-13-15(11-12-18(19)23-17-9-5-2-6-10-17)20-24-25(21(30)29-20)14-22-16-7-3-1-4-8-16/h1-13,22-23H,14H2