N-(3,4-dihydro-2H-thiochromen-4-yl)-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanamide

Systemtic Name: N-(3,4-dihydro-2H-thiochromen-4-yl)-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanamide Openeye Name: 3-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-N-thiochroman-4-yl-propanamide CAS Name: N-(3,4-dihydro-2H-1-benzothiopyran-4-yl)-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanamide IUPAC Name: N-(3,4-dihydro-2H-thiochromen-4-yl)-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanamide Traditional Name: 3-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-N-thiochroman-4-yl-propionamide Formula: C18H18N4OS3 MolecularWeight: 402.55672

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=CC=CC=C2C1NC(=O)CCN3C(=NNC3=S)C4=CC=CS4

Isomeric SMILES

C1CSC2=CC=CC=C2C1NC(=O)CCN3C(=NNC3=S)C4=CC=CS4

InChI

InChI=1S/C18H18N4OS3/c23-16(19-13-8-11-26-14-5-2-1-4-12(13)14)7-9-22-17(20-21-18(22)24)15-6-3-10-25-15/h1-6,10,13H,7-9,11H2,(H,19,23)(H,21,24)