N-(4-bromanyl-2-methyl-phenyl)-2-[[5-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-(4-bromanyl-2-methyl-phenyl)-2-[[5-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(4-bromo-2-methyl-phenyl)-2-[[5-(2-thienylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(4-bromo-2-methylphenyl)-2-[[5-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(4-bromo-2-methylphenyl)-2-[[5-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(4-bromo-2-methyl-phenyl)-2-[[5-(2-thenyl)-1H-1,2,4-triazol-3-yl]thio]acetamide Formula: C16H15BrN4OS2 MolecularWeight: 423.3505

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)CSC2=NNC(=N2)CC3=CC=CS3

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)CSC2=NNC(=N2)CC3=CC=CS3

InChI

InChI=1S/C16H15BrN4OS2/c1-10-7-11(17)4-5-13(10)18-15(22)9-24-16-19-14(20-21-16)8-12-3-2-6-23-12/h2-7H,8-9H2,1H3,(H,18,22)(H,19,20,21)