(3-nitrophenyl)-[(5E)-4-phenyl-5-(phenylhydrazinylidene)-1,3,4-thiadiazol-2-yl]methanone

Systemtic Name: (3-nitrophenyl)-[(5E)-4-phenyl-5-(phenylhydrazinylidene)-1,3,4-thiadiazol-2-yl]methanone Openeye Name: (3-nitrophenyl)-[(5E)-4-phenyl-5-(phenylhydrazono)-1,3,4-thiadiazol-2-yl]methanone CAS Name: (3-nitrophenyl)-[(5E)-4-phenyl-5-(phenylhydrazinylidene)-1,3,4-thiadiazol-2-yl]methanone IUPAC Name: (3-nitrophenyl)-[(5E)-4-phenyl-5-(phenylhydrazinylidene)-1,3,4-thiadiazol-2-yl]methanone Traditional Name: (3-nitrophenyl)-[(5E)-4-phenyl-5-(phenylhydrazono)-1,3,4-thiadiazol-2-yl]methanone Formula: C21H15N5O3S MolecularWeight: 417.4405

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NN=C2N(N=C(S2)C(=O)C3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)N/N=C/2\N(N=C(S2)C(=O)C3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C21H15N5O3S/c27-19(15-8-7-13-18(14-15)26(28)29)20-24-25(17-11-5-2-6-12-17)21(30-20)23-22-16-9-3-1-4-10-16/h1-14,22H/b23-21+