4-[2-[[4-butyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanoylamino]benzamide

Systemtic Name: 4-[2-[[4-butyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanoylamino]benzamide Openeye Name: 4-[2-[[4-butyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanoylamino]benzamide CAS Name: 4-[[2-[[4-butyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-1-oxopropyl]amino]benzamide IUPAC Name: 4-[2-[[4-butyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanoylamino]benzamide Traditional Name: 4-[2-[[4-butyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]propanoylamino]benzamide Formula: C23H27N5O3S MolecularWeight: 453.55718

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NN=C1SC(C)C(=O)NC2=CC=C(C=C2)C(=O)N)C3=CC=C(C=C3)OC

Isomeric SMILES

CCCCN1C(=NN=C1SC(C)C(=O)NC2=CC=C(C=C2)C(=O)N)C3=CC=C(C=C3)OC

InChI

InChI=1S/C23H27N5O3S/c1-4-5-14-28-21(17-8-12-19(31-3)13-9-17)26-27-23(28)32-15(2)22(30)25-18-10-6-16(7-11-18)20(24)29/h6-13,15H,4-5,14H2,1-3H3,(H2,24,29)(H,25,30)