3-[4-butyl-3-(4-chlorophenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]-N-prop-2-enyl-propanamide

Systemtic Name: 3-[4-butyl-3-(4-chlorophenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]-N-prop-2-enyl-propanamide Openeye Name: N-allyl-3-[4-butyl-3-(4-chlorophenyl)-5-thioxo-1,2,4-triazol-1-yl]propanamide CAS Name: 3-[4-butyl-3-(4-chlorophenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]-N-prop-2-enylpropanamide IUPAC Name: 3-[4-butyl-3-(4-chlorophenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]-N-prop-2-enylpropanamide Traditional Name: N-allyl-3-[4-butyl-3-(4-chlorophenyl)-5-thioxo-1,2,4-triazol-1-yl]propionamide Formula: C18H23ClN4OS MolecularWeight: 378.91942

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23ClN4OS/c1-3-5-12-22-17(14-6-8-15(19)9-7-14)21-23(18(22)25)13-10-16(24)20-11-4-2/h4,6-9H,2-3,5,10-13H2,1H3,(H,20,24)