N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(phenylmethylsulfanyl)-1,3,4-thiadiazol-2-amine

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(phenylmethylsulfanyl)-1,3,4-thiadiazol-2-amine Openeye Name: 5-benzylsulfanyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,3,4-thiadiazol-2-amine CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(phenylmethylthio)-1,3,4-thiadiazol-2-amine IUPAC Name: 5-benzylsulfanyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,3,4-thiadiazol-2-amine Traditional Name: [5-(benzylthio)-1,3,4-thiadiazol-2-yl]-homoveratryl-amine Formula: C19H21N3O2S2 MolecularWeight: 387.51894

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC2=NN=C(S2)SCC3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC2=NN=C(S2)SCC3=CC=CC=C3)OC

InChI

InChI=1S/C19H21N3O2S2/c1-23-16-9-8-14(12-17(16)24-2)10-11-20-18-21-22-19(26-18)25-13-15-6-4-3-5-7-15/h3-9,12H,10-11,13H2,1-2H3,(H,20,21)