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

Systemtic Name: 2-(1,3-benzodithiol-2-ylidene)-3-(4-bromophenyl)-5-(4-methoxyphenyl)-1,3,4-thiadiazole Openeye Name: 2-(1,3-benzodithiol-2-ylidene)-3-(4-bromophenyl)-5-(4-methoxyphenyl)-1,3,4-thiadiazole CAS Name: 2-(1,3-benzodithiol-2-ylidene)-3-(4-bromophenyl)-5-(4-methoxyphenyl)-1,3,4-thiadiazole IUPAC Name: 2-(1,3-benzodithiol-2-ylidene)-3-(4-bromophenyl)-5-(4-methoxyphenyl)-1,3,4-thiadiazole Traditional Name: 2-(1,3-benzodithiol-2-ylidene)-3-(4-bromophenyl)-5-(4-methoxyphenyl)-1,3,4-thiadiazole Formula: C22H15BrN2OS3 MolecularWeight: 499.4663

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN(C(=C3SC4=CC=CC=C4S3)S2)C5=CC=C(C=C5)Br

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN(C(=C3SC4=CC=CC=C4S3)S2)C5=CC=C(C=C5)Br

InChI

InChI=1S/C22H15BrN2OS3/c1-26-17-12-6-14(7-13-17)20-24-25(16-10-8-15(23)9-11-16)21(29-20)22-27-18-4-2-3-5-19(18)28-22/h2-13H,1H3