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

Systemtic Name: 2-(1,3-benzodithiol-2-ylidene)-5-(4-methoxyphenyl)-3-(4-nitrophenyl)-1,3,4-thiadiazole Openeye Name: 2-(1,3-benzodithiol-2-ylidene)-5-(4-methoxyphenyl)-3-(4-nitrophenyl)-1,3,4-thiadiazole CAS Name: 2-(1,3-benzodithiol-2-ylidene)-5-(4-methoxyphenyl)-3-(4-nitrophenyl)-1,3,4-thiadiazole IUPAC Name: 2-(1,3-benzodithiol-2-ylidene)-5-(4-methoxyphenyl)-3-(4-nitrophenyl)-1,3,4-thiadiazole Traditional Name: 2-(1,3-benzodithiol-2-ylidene)-5-(4-methoxyphenyl)-3-(4-nitrophenyl)-1,3,4-thiadiazole Formula: C22H15N3O3S3 MolecularWeight: 465.5678

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)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN(C(=C3SC4=CC=CC=C4S3)S2)C5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C22H15N3O3S3/c1-28-17-12-6-14(7-13-17)20-23-24(15-8-10-16(11-9-15)25(26)27)21(31-20)22-29-18-4-2-3-5-19(18)30-22/h2-13H,1H3