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

Systemtic Name: 2-[3-[4-butyl-3-(4-chlorophenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]propanoylamino]-N-prop-2-enyl-benzamide Openeye Name: N-allyl-2-[3-[4-butyl-3-(4-chlorophenyl)-5-thioxo-1,2,4-triazol-1-yl]propanoylamino]benzamide CAS Name: 2-[[3-[4-butyl-3-(4-chlorophenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]-1-oxopropyl]amino]-N-prop-2-enylbenzamide IUPAC Name: 2-[3-[4-butyl-3-(4-chlorophenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]propanoylamino]-N-prop-2-enylbenzamide Traditional Name: N-allyl-2-[3-[4-butyl-3-(4-chlorophenyl)-5-thioxo-1,2,4-triazol-1-yl]propanoylamino]benzamide Formula: C25H28ClN5O2S MolecularWeight: 498.04012

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NN(C1=S)CCC(=O)NC2=CC=CC=C2C(=O)NCC=C)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCCCN1C(=NN(C1=S)CCC(=O)NC2=CC=CC=C2C(=O)NCC=C)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C25H28ClN5O2S/c1-3-5-16-30-23(18-10-12-19(26)13-11-18)29-31(25(30)34)17-14-22(32)28-21-9-7-6-8-20(21)24(33)27-15-4-2/h4,6-13H,2-3,5,14-17H2,1H3,(H,27,33)(H,28,32)