1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-N-[(4-methylsulfanylphenyl)methyl]pyrrole-2-carboxamide

Systemtic Name: 1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-N-[(4-methylsulfanylphenyl)methyl]pyrrole-2-carboxamide Openeye Name: 1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-N-[(4-methylsulfanylphenyl)methyl]pyrrole-2-carboxamide CAS Name: 1-[5-(1-azepanyl)-1,3,4-thiadiazol-2-yl]-N-[[4-(methylthio)phenyl]methyl]-2-pyrrolecarboxamide IUPAC Name: 1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-N-[(4-methylsulfanylphenyl)methyl]pyrrole-2-carboxamide Traditional Name: 1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-N-[4-(methylthio)benzyl]pyrrole-2-carboxamide Formula: C21H25N5OS2 MolecularWeight: 427.5861

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)CNC(=O)C2=CC=CN2C3=NN=C(S3)N4CCCCCC4

Isomeric SMILES

CSC1=CC=C(C=C1)CNC(=O)C2=CC=CN2C3=NN=C(S3)N4CCCCCC4

InChI

InChI=1S/C21H25N5OS2/c1-28-17-10-8-16(9-11-17)15-22-19(27)18-7-6-14-26(18)21-24-23-20(29-21)25-12-4-2-3-5-13-25/h6-11,14H,2-5,12-13,15H2,1H3,(H,22,27)