N-(4-butylphenyl)-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide

Systemtic Name: N-(4-butylphenyl)-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide Openeye Name: N-(4-butylphenyl)-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide CAS Name: N-(4-butylphenyl)-4-[(1H-1,2,4-triazol-5-ylthio)methyl]benzamide IUPAC Name: N-(4-butylphenyl)-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide Traditional Name: N-(4-butylphenyl)-4-[(1H-1,2,4-triazol-5-ylthio)methyl]benzamide Formula: C20H22N4OS MolecularWeight: 366.47988

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)CSC3=NC=NN3

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)CSC3=NC=NN3

InChI

InChI=1S/C20H22N4OS/c1-2-3-4-15-7-11-18(12-8-15)23-19(25)17-9-5-16(6-10-17)13-26-20-21-14-22-24-20/h5-12,14H,2-4,13H2,1H3,(H,23,25)(H,21,22,24)