N-[4-(4-chloranylphenoxy)butyl]-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanamide

Systemtic Name: N-[4-(4-chloranylphenoxy)butyl]-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanamide Openeye Name: N-[4-(4-chlorophenoxy)butyl]-3-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propanamide CAS Name: N-[4-(4-chlorophenoxy)butyl]-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanamide IUPAC Name: N-[4-(4-chlorophenoxy)butyl]-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanamide Traditional Name: N-[4-(4-chlorophenoxy)butyl]-3-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propionamide Formula: C19H21ClN4O2S2 MolecularWeight: 436.97864

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C2=NNC(=S)N2CCC(=O)NCCCCOC3=CC=C(C=C3)Cl

Isomeric SMILES

C1=CSC(=C1)C2=NNC(=S)N2CCC(=O)NCCCCOC3=CC=C(C=C3)Cl

InChI

InChI=1S/C19H21ClN4O2S2/c20-14-5-7-15(8-6-14)26-12-2-1-10-21-17(25)9-11-24-18(22-23-19(24)27)16-4-3-13-28-16/h3-8,13H,1-2,9-12H2,(H,21,25)(H,23,27)