N-[2,6-bis(bromanyl)-4-methyl-phenyl]-2-[[4-prop-2-enyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-[2,6-bis(bromanyl)-4-methyl-phenyl]-2-[[4-prop-2-enyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[4-allyl-5-(2-thienylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2,6-dibromo-4-methyl-phenyl)acetamide CAS Name: N-(2,6-dibromo-4-methylphenyl)-2-[[4-prop-2-enyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(2,6-dibromo-4-methylphenyl)-2-[[4-prop-2-enyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: 2-[[4-allyl-5-(2-thenyl)-1,2,4-triazol-3-yl]thio]-N-(2,6-dibromo-4-methyl-phenyl)acetamide Formula: C19H18Br2N4OS2 MolecularWeight: 542.31042

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)Br)NC(=O)CSC2=NN=C(N2CC=C)CC3=CC=CS3)Br

Isomeric SMILES

CC1=CC(=C(C(=C1)Br)NC(=O)CSC2=NN=C(N2CC=C)CC3=CC=CS3)Br

InChI

InChI=1S/C19H18Br2N4OS2/c1-3-6-25-16(10-13-5-4-7-27-13)23-24-19(25)28-11-17(26)22-18-14(20)8-12(2)9-15(18)21/h3-5,7-9H,1,6,10-11H2,2H3,(H,22,26)