2-(1,3-benzodithiol-2-ylidene)-3-(4-nitrophenyl)-5-phenyl-1,3,4-thiadiazole

Systemtic Name: 2-(1,3-benzodithiol-2-ylidene)-3-(4-nitrophenyl)-5-phenyl-1,3,4-thiadiazole Openeye Name: 2-(1,3-benzodithiol-2-ylidene)-3-(4-nitrophenyl)-5-phenyl-1,3,4-thiadiazole CAS Name: 2-(1,3-benzodithiol-2-ylidene)-3-(4-nitrophenyl)-5-phenyl-1,3,4-thiadiazole IUPAC Name: 2-(1,3-benzodithiol-2-ylidene)-3-(4-nitrophenyl)-5-phenyl-1,3,4-thiadiazole Traditional Name: 2-(1,3-benzodithiol-2-ylidene)-3-(4-nitrophenyl)-5-phenyl-1,3,4-thiadiazole Formula: C21H13N3O2S3 MolecularWeight: 435.54182

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C(=C3SC4=CC=CC=C4S3)S2)C5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(C(=C3SC4=CC=CC=C4S3)S2)C5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C21H13N3O2S3/c25-24(26)16-12-10-15(11-13-16)23-20(21-27-17-8-4-5-9-18(17)28-21)29-19(22-23)14-6-2-1-3-7-14/h1-13H