N-[3,5-bis(bromanyl)-4-methyl-phenyl]-3-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide

Systemtic Name: N-[3,5-bis(bromanyl)-4-methyl-phenyl]-3-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide Openeye Name: N-(3,5-dibromo-4-methyl-phenyl)-3-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide CAS Name: N-(3,5-dibromo-4-methylphenyl)-3-[(1H-1,2,4-triazol-5-ylthio)methyl]benzamide IUPAC Name: N-(3,5-dibromo-4-methylphenyl)-3-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide Traditional Name: N-(3,5-dibromo-4-methyl-phenyl)-3-[(1H-1,2,4-triazol-5-ylthio)methyl]benzamide Formula: C17H14Br2N4OS MolecularWeight: 482.19226

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1Br)NC(=O)C2=CC(=CC=C2)CSC3=NC=NN3)Br

Isomeric SMILES

CC1=C(C=C(C=C1Br)NC(=O)C2=CC(=CC=C2)CSC3=NC=NN3)Br

InChI

InChI=1S/C17H14Br2N4OS/c1-10-14(18)6-13(7-15(10)19)22-16(24)12-4-2-3-11(5-12)8-25-17-20-9-21-23-17/h2-7,9H,8H2,1H3,(H,22,24)(H,20,21,23)