3-[4-butyl-3-(4-chlorophenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]-N-[2-(ethylamino)-2-oxidanylidene-ethyl]propanamide

Systemtic Name: 3-[4-butyl-3-(4-chlorophenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]-N-[2-(ethylamino)-2-oxidanylidene-ethyl]propanamide Openeye Name: 3-[4-butyl-3-(4-chlorophenyl)-5-thioxo-1,2,4-triazol-1-yl]-N-[2-(ethylamino)-2-oxo-ethyl]propanamide CAS Name: 3-[4-butyl-3-(4-chlorophenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]-N-[2-(ethylamino)-2-oxoethyl]propanamide IUPAC Name: 3-[4-butyl-3-(4-chlorophenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]-N-[2-(ethylamino)-2-oxoethyl]propanamide Traditional Name: 3-[4-butyl-3-(4-chlorophenyl)-5-thioxo-1,2,4-triazol-1-yl]-N-[2-(ethylamino)-2-keto-ethyl]propionamide Formula: C19H26ClN5O2S MolecularWeight: 423.96004

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NN(C1=S)CCC(=O)NCC(=O)NCC)C2=CC=C(C=C2)Cl

Isomeric SMILES

CCCCN1C(=NN(C1=S)CCC(=O)NCC(=O)NCC)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C19H26ClN5O2S/c1-3-5-11-24-18(14-6-8-15(20)9-7-14)23-25(19(24)28)12-10-16(26)22-13-17(27)21-4-2/h6-9H,3-5,10-13H2,1-2H3,(H,21,27)(H,22,26)