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

Systemtic Name: N-(3-phenoxypropyl)-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanamide Openeye Name: N-(3-phenoxypropyl)-3-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propanamide CAS Name: N-(3-phenoxypropyl)-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanamide IUPAC Name: N-(3-phenoxypropyl)-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanamide Traditional Name: N-(3-phenoxypropyl)-3-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propionamide Formula: C18H20N4O2S2 MolecularWeight: 388.507

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCCCNC(=O)CCN2C(=NNC2=S)C3=CC=CS3

Isomeric SMILES

C1=CC=C(C=C1)OCCCNC(=O)CCN2C(=NNC2=S)C3=CC=CS3

InChI

InChI=1S/C18H20N4O2S2/c23-16(19-10-5-12-24-14-6-2-1-3-7-14)9-11-22-17(20-21-18(22)25)15-8-4-13-26-15/h1-4,6-8,13H,5,9-12H2,(H,19,23)(H,21,25)