2-[4-(3,4-dimethoxyphenyl)butyl]-5-pyrrolidin-2-yl-1,3,4-thiadiazole

Systemtic Name: 2-[4-(3,4-dimethoxyphenyl)butyl]-5-pyrrolidin-2-yl-1,3,4-thiadiazole Openeye Name: 2-[4-(3,4-dimethoxyphenyl)butyl]-5-pyrrolidin-2-yl-1,3,4-thiadiazole CAS Name: 2-[4-(3,4-dimethoxyphenyl)butyl]-5-(2-pyrrolidinyl)-1,3,4-thiadiazole IUPAC Name: 2-[4-(3,4-dimethoxyphenyl)butyl]-5-pyrrolidin-2-yl-1,3,4-thiadiazole Traditional Name: 2-[4-(3,4-dimethoxyphenyl)butyl]-5-pyrrolidin-2-yl-1,3,4-thiadiazole Formula: C18H25N3O2S MolecularWeight: 347.475

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCCCC2=NN=C(S2)C3CCCN3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCCCC2=NN=C(S2)C3CCCN3)OC

InChI

InChI=1S/C18H25N3O2S/c1-22-15-10-9-13(12-16(15)23-2)6-3-4-8-17-20-21-18(24-17)14-7-5-11-19-14/h9-10,12,14,19H,3-8,11H2,1-2H3