N-[2-(diethylamino)-2-phenyl-ethyl]-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanamide

Systemtic Name: N-[2-(diethylamino)-2-phenyl-ethyl]-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanamide Openeye Name: N-[2-(diethylamino)-2-phenyl-ethyl]-3-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propanamide CAS Name: N-[2-(diethylamino)-2-phenylethyl]-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanamide IUPAC Name: N-[2-(diethylamino)-2-phenylethyl]-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanamide Traditional Name: N-[2-(diethylamino)-2-phenyl-ethyl]-3-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propionamide Formula: C21H27N5OS2 MolecularWeight: 429.60198

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(CNC(=O)CCN1C(=NNC1=S)C2=CC=CS2)C3=CC=CC=C3

Isomeric SMILES

CCN(CC)C(CNC(=O)CCN1C(=NNC1=S)C2=CC=CS2)C3=CC=CC=C3

InChI

InChI=1S/C21H27N5OS2/c1-3-25(4-2)17(16-9-6-5-7-10-16)15-22-19(27)12-13-26-20(23-24-21(26)28)18-11-8-14-29-18/h5-11,14,17H,3-4,12-13,15H2,1-2H3,(H,22,27)(H,24,28)