N-butyl-5-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine

Systemtic Name: N-butyl-5-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine Openeye Name: N-butyl-5-[[2-(3,4-dimethoxyphenyl)thiazol-4-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine CAS Name: N-butyl-5-[[2-(3,4-dimethoxyphenyl)-4-thiazolyl]methylthio]-1,3,4-thiadiazol-2-amine IUPAC Name: N-butyl-5-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine Traditional Name: butyl-[5-[[2-(3,4-dimethoxyphenyl)thiazol-4-yl]methylthio]-1,3,4-thiadiazol-2-yl]amine Formula: C18H22N4O2S3 MolecularWeight: 422.58788

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NN=C(S1)SCC2=CSC(=N2)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CCCCNC1=NN=C(S1)SCC2=CSC(=N2)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C18H22N4O2S3/c1-4-5-8-19-17-21-22-18(27-17)26-11-13-10-25-16(20-13)12-6-7-14(23-2)15(9-12)24-3/h6-7,9-10H,4-5,8,11H2,1-3H3,(H,19,21)