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

Systemtic Name: 2-(1,3-benzodithiol-2-ylidene)-5-(4-methoxyphenyl)-3-phenyl-1,3,4-thiadiazole Openeye Name: 2-(1,3-benzodithiol-2-ylidene)-5-(4-methoxyphenyl)-3-phenyl-1,3,4-thiadiazole CAS Name: 2-(1,3-benzodithiol-2-ylidene)-5-(4-methoxyphenyl)-3-phenyl-1,3,4-thiadiazole IUPAC Name: 2-(1,3-benzodithiol-2-ylidene)-5-(4-methoxyphenyl)-3-phenyl-1,3,4-thiadiazole Traditional Name: 2-(1,3-benzodithiol-2-ylidene)-5-(4-methoxyphenyl)-3-phenyl-1,3,4-thiadiazole Formula: C22H16N2OS3 MolecularWeight: 420.57024

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H16N2OS3/c1-25-17-13-11-15(12-14-17)20-23-24(16-7-3-2-4-8-16)21(28-20)22-26-18-9-5-6-10-19(18)27-22/h2-14H,1H3