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

Systemtic Name: N-(4-bromanyl-2-methyl-phenyl)-2-[(4-methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(4-bromo-2-methyl-phenyl)-2-[(4-methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-(4-bromo-2-methylphenyl)-2-[[4-methyl-5-(2-pyrazinyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(4-bromo-2-methylphenyl)-2-[(4-methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(4-bromo-2-methyl-phenyl)-2-[(4-methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)thio]acetamide Formula: C16H15BrN6OS MolecularWeight: 419.2989

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)CSC2=NN=C(N2C)C3=NC=CN=C3

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)CSC2=NN=C(N2C)C3=NC=CN=C3

InChI

InChI=1S/C16H15BrN6OS/c1-10-7-11(17)3-4-12(10)20-14(24)9-25-16-22-21-15(23(16)2)13-8-18-5-6-19-13/h3-8H,9H2,1-2H3,(H,20,24)