3,4-dimethoxy-N-[5-(phenylsulfanylmethyl)-1,3,4-thiadiazol-2-yl]benzamide

Systemtic Name: 3,4-dimethoxy-N-[5-(phenylsulfanylmethyl)-1,3,4-thiadiazol-2-yl]benzamide Openeye Name: 3,4-dimethoxy-N-[5-(phenylsulfanylmethyl)-1,3,4-thiadiazol-2-yl]benzamide CAS Name: 3,4-dimethoxy-N-[5-[(phenylthio)methyl]-1,3,4-thiadiazol-2-yl]benzamide IUPAC Name: 3,4-dimethoxy-N-[5-(phenylsulfanylmethyl)-1,3,4-thiadiazol-2-yl]benzamide Traditional Name: 3,4-dimethoxy-N-[5-[(phenylthio)methyl]-1,3,4-thiadiazol-2-yl]benzamide Formula: C18H17N3O3S2 MolecularWeight: 387.47588

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC2=NN=C(S2)CSC3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC2=NN=C(S2)CSC3=CC=CC=C3)OC

InChI

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