N-[2-(diethylamino)-2-thiophen-3-yl-ethyl]-2-(1,2,4-triazol-1-yl)pyridine-3-carboxamide

Systemtic Name: N-[2-(diethylamino)-2-thiophen-3-yl-ethyl]-2-(1,2,4-triazol-1-yl)pyridine-3-carboxamide Openeye Name: N-[2-(diethylamino)-2-(3-thienyl)ethyl]-2-(1,2,4-triazol-1-yl)pyridine-3-carboxamide CAS Name: N-[2-(diethylamino)-2-(3-thiophenyl)ethyl]-2-(1,2,4-triazol-1-yl)-3-pyridinecarboxamide IUPAC Name: N-[2-(diethylamino)-2-thiophen-3-ylethyl]-2-(1,2,4-triazol-1-yl)pyridine-3-carboxamide Traditional Name: N-[2-(diethylamino)-2-(3-thienyl)ethyl]-2-(1,2,4-triazol-1-yl)nicotinamide Formula: C18H22N6OS MolecularWeight: 370.47188

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(CNC(=O)C1=C(N=CC=C1)N2C=NC=N2)C3=CSC=C3

Isomeric SMILES

CCN(CC)C(CNC(=O)C1=C(N=CC=C1)N2C=NC=N2)C3=CSC=C3

InChI

InChI=1S/C18H22N6OS/c1-3-23(4-2)16(14-7-9-26-11-14)10-21-18(25)15-6-5-8-20-17(15)24-13-19-12-22-24/h5-9,11-13,16H,3-4,10H2,1-2H3,(H,21,25)