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

Systemtic Name: N-(4-bromanyl-3-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-(4-bromo-3-methyl-phenyl)acetamide CAS Name: N-(4-bromo-3-methylphenyl)-2-[[4-prop-2-enyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(4-bromo-3-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-(4-bromo-3-methyl-phenyl)acetamide Formula: C19H19BrN4OS2 MolecularWeight: 463.41436

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19BrN4OS2/c1-3-8-24-17(11-15-5-4-9-26-15)22-23-19(24)27-12-18(25)21-14-6-7-16(20)13(2)10-14/h3-7,9-10H,1,8,11-12H2,2H3,(H,21,25)