1-(3,4-dimethoxyphenyl)-2-[(5-phenylazanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone

Systemtic Name: 1-(3,4-dimethoxyphenyl)-2-[(5-phenylazanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone Openeye Name: 2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(3,4-dimethoxyphenyl)ethanone CAS Name: 2-[(5-anilino-1,3,4-thiadiazol-2-yl)thio]-1-(3,4-dimethoxyphenyl)ethanone IUPAC Name: 2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(3,4-dimethoxyphenyl)ethanone Traditional Name: 2-[(5-anilino-1,3,4-thiadiazol-2-yl)thio]-1-(3,4-dimethoxyphenyl)ethanone Formula: C18H17N3O3S2 MolecularWeight: 387.47588

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)CSC2=NN=C(S2)NC3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)CSC2=NN=C(S2)NC3=CC=CC=C3)OC

InChI

InChI=1S/C18H17N3O3S2/c1-23-15-9-8-12(10-16(15)24-2)14(22)11-25-18-21-20-17(26-18)19-13-6-4-3-5-7-13/h3-10H,11H2,1-2H3,(H,19,20)