N-[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide

Systemtic Name: N-[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide Openeye Name: N-[5-methyl-4-(4-propylphenyl)thiazol-2-yl]-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide CAS Name: N-[5-methyl-4-(4-propylphenyl)-2-thiazolyl]-4-[(1H-1,2,4-triazol-5-ylthio)methyl]benzamide IUPAC Name: N-[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide Traditional Name: N-[5-methyl-4-(4-propylphenyl)thiazol-2-yl]-4-[(1H-1,2,4-triazol-5-ylthio)methyl]benzamide Formula: C23H23N5OS2 MolecularWeight: 449.59162

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C2=C(SC(=N2)NC(=O)C3=CC=C(C=C3)CSC4=NC=NN4)C

Isomeric SMILES

CCCC1=CC=C(C=C1)C2=C(SC(=N2)NC(=O)C3=CC=C(C=C3)CSC4=NC=NN4)C

InChI

InChI=1S/C23H23N5OS2/c1-3-4-16-5-9-18(10-6-16)20-15(2)31-23(26-20)27-21(29)19-11-7-17(8-12-19)13-30-22-24-14-25-28-22/h5-12,14H,3-4,13H2,1-2H3,(H,24,25,28)(H,26,27,29)