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

Systemtic Name: 2-(1,3-benzodithiol-2-ylidene)-3-(4-bromophenyl)-5-phenyl-1,3,4-thiadiazole Openeye Name: 2-(1,3-benzodithiol-2-ylidene)-3-(4-bromophenyl)-5-phenyl-1,3,4-thiadiazole CAS Name: 2-(1,3-benzodithiol-2-ylidene)-3-(4-bromophenyl)-5-phenyl-1,3,4-thiadiazole IUPAC Name: 2-(1,3-benzodithiol-2-ylidene)-3-(4-bromophenyl)-5-phenyl-1,3,4-thiadiazole Traditional Name: 2-(1,3-benzodithiol-2-ylidene)-3-(4-bromophenyl)-5-phenyl-1,3,4-thiadiazole Formula: C21H13BrN2S3 MolecularWeight: 469.44032

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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)Br

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(C(=C3SC4=CC=CC=C4S3)S2)C5=CC=C(C=C5)Br

InChI

InChI=1S/C21H13BrN2S3/c22-15-10-12-16(13-11-15)24-20(21-25-17-8-4-5-9-18(17)26-21)27-19(23-24)14-6-2-1-3-7-14/h1-13H