2-[[4-azanyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-bromanyl-2-propan-2-yl-phenyl)ethanamide

Systemtic Name: 2-[[4-azanyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-bromanyl-2-propan-2-yl-phenyl)ethanamide Openeye Name: 2-[[4-amino-5-(m-tolyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-bromo-2-isopropyl-phenyl)acetamide CAS Name: 2-[[4-amino-5-(3-methylphenyl)-1,2,4-triazol-3-yl]thio]-N-(4-bromo-2-propan-2-ylphenyl)acetamide IUPAC Name: 2-[[4-amino-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-bromo-2-propan-2-ylphenyl)acetamide Traditional Name: 2-[[4-amino-5-(m-tolyl)-1,2,4-triazol-3-yl]thio]-N-(4-bromo-2-isopropyl-phenyl)acetamide Formula: C20H22BrN5OS MolecularWeight: 460.39058

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NN=C(N2N)SCC(=O)NC3=C(C=C(C=C3)Br)C(C)C

Isomeric SMILES

CC1=CC=CC(=C1)C2=NN=C(N2N)SCC(=O)NC3=C(C=C(C=C3)Br)C(C)C

InChI

InChI=1S/C20H22BrN5OS/c1-12(2)16-10-15(21)7-8-17(16)23-18(27)11-28-20-25-24-19(26(20)22)14-6-4-5-13(3)9-14/h4-10,12H,11,22H2,1-3H3,(H,23,27)