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

Systemtic Name: 1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-N-(pyridin-3-ylmethyl)pyrrole-2-carboxamide Openeye Name: 1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-N-(3-pyridylmethyl)pyrrole-2-carboxamide CAS Name: 1-[5-(1-azepanyl)-1,3,4-thiadiazol-2-yl]-N-(3-pyridinylmethyl)-2-pyrrolecarboxamide IUPAC Name: 1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-N-(pyridin-3-ylmethyl)pyrrole-2-carboxamide Traditional Name: 1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-N-(3-pyridylmethyl)pyrrole-2-carboxamide Formula: C19H22N6OS MolecularWeight: 382.48258

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=NN=C(S2)N3C=CC=C3C(=O)NCC4=CN=CC=C4

Isomeric SMILES

C1CCCN(CC1)C2=NN=C(S2)N3C=CC=C3C(=O)NCC4=CN=CC=C4

InChI

InChI=1S/C19H22N6OS/c26-17(21-14-15-7-5-9-20-13-15)16-8-6-12-25(16)19-23-22-18(27-19)24-10-3-1-2-4-11-24/h5-9,12-13H,1-4,10-11,14H2,(H,21,26)