N-(4-bromophenyl)-2-[[5-(phenylmethyl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-(4-bromophenyl)-2-[[5-(phenylmethyl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[(5-benzyl-4-isopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-bromophenyl)acetamide CAS Name: N-(4-bromophenyl)-2-[[5-(phenylmethyl)-4-propan-2-yl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: 2-[(5-benzyl-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-bromophenyl)acetamide Traditional Name: 2-[(5-benzyl-4-isopropyl-1,2,4-triazol-3-yl)thio]-N-(4-bromophenyl)acetamide Formula: C20H21BrN4OS MolecularWeight: 445.37594

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)Br)CC3=CC=CC=C3

Isomeric SMILES

CC(C)N1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)Br)CC3=CC=CC=C3

InChI

InChI=1S/C20H21BrN4OS/c1-14(2)25-18(12-15-6-4-3-5-7-15)23-24-20(25)27-13-19(26)22-17-10-8-16(21)9-11-17/h3-11,14H,12-13H2,1-2H3,(H,22,26)