N-[2-(4-ethoxyphenyl)ethyl]-1-(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)pyrrole-2-carboxamide

Systemtic Name: N-[2-(4-ethoxyphenyl)ethyl]-1-(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)pyrrole-2-carboxamide Openeye Name: N-[2-(4-ethoxyphenyl)ethyl]-1-(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)pyrrole-2-carboxamide CAS Name: N-[2-(4-ethoxyphenyl)ethyl]-1-[5-(1-pyrrolidinyl)-1,3,4-thiadiazol-2-yl]-2-pyrrolecarboxamide IUPAC Name: N-[2-(4-ethoxyphenyl)ethyl]-1-(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)pyrrole-2-carboxamide Traditional Name: N-(2-p-phenetylethyl)-1-(5-pyrrolidino-1,3,4-thiadiazol-2-yl)pyrrole-2-carboxamide Formula: C21H25N5O2S MolecularWeight: 411.5205

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CCNC(=O)C2=CC=CN2C3=NN=C(S3)N4CCCC4

Isomeric SMILES

CCOC1=CC=C(C=C1)CCNC(=O)C2=CC=CN2C3=NN=C(S3)N4CCCC4

InChI

InChI=1S/C21H25N5O2S/c1-2-28-17-9-7-16(8-10-17)11-12-22-19(27)18-6-5-15-26(18)21-24-23-20(29-21)25-13-3-4-14-25/h5-10,15H,2-4,11-14H2,1H3,(H,22,27)