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

Systemtic Name: N-(1-naphthalen-1-ylethyl)-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanamide Openeye Name: N-[1-(1-naphthyl)ethyl]-3-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propanamide CAS Name: N-[1-(1-naphthalenyl)ethyl]-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanamide IUPAC Name: N-(1-naphthalen-1-ylethyl)-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanamide Traditional Name: N-[1-(1-naphthyl)ethyl]-3-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propionamide Formula: C21H20N4OS2 MolecularWeight: 408.5397

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC2=CC=CC=C21)NC(=O)CCN3C(=NNC3=S)C4=CC=CS4

Isomeric SMILES

CC(C1=CC=CC2=CC=CC=C21)NC(=O)CCN3C(=NNC3=S)C4=CC=CS4

InChI

InChI=1S/C21H20N4OS2/c1-14(16-9-4-7-15-6-2-3-8-17(15)16)22-19(26)11-12-25-20(23-24-21(25)27)18-10-5-13-28-18/h2-10,13-14H,11-12H2,1H3,(H,22,26)(H,24,27)