N-[5-[(4-cyanophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3,4-dimethoxy-5-prop-2-enyl-benzamide

Systemtic Name: N-[5-[(4-cyanophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3,4-dimethoxy-5-prop-2-enyl-benzamide Openeye Name: 3-allyl-N-[5-[(4-cyanophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4,5-dimethoxy-benzamide CAS Name: N-[5-[(4-cyanophenyl)methylthio]-1,3,4-thiadiazol-2-yl]-3,4-dimethoxy-5-prop-2-enylbenzamide IUPAC Name: N-[5-[(4-cyanophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3,4-dimethoxy-5-prop-2-enylbenzamide Traditional Name: 3-allyl-N-[5-[(4-cyanobenzyl)thio]-1,3,4-thiadiazol-2-yl]-4,5-dimethoxy-benzamide Formula: C22H20N4O3S2 MolecularWeight: 452.5492

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)CC=C)C(=O)NC2=NN=C(S2)SCC3=CC=C(C=C3)C#N

Isomeric SMILES

COC1=CC(=CC(=C1OC)CC=C)C(=O)NC2=NN=C(S2)SCC3=CC=C(C=C3)C#N

InChI

InChI=1S/C22H20N4O3S2/c1-4-5-16-10-17(11-18(28-2)19(16)29-3)20(27)24-21-25-26-22(31-21)30-13-15-8-6-14(12-23)7-9-15/h4,6-11H,1,5,13H2,2-3H3,(H,24,25,27)