2-[[4-azanyl-5-(3-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methoxy-2-methyl-phenyl)ethanamide

Systemtic Name: 2-[[4-azanyl-5-(3-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methoxy-2-methyl-phenyl)ethanamide Openeye Name: 2-[[4-amino-5-(3-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methoxy-2-methyl-phenyl)acetamide CAS Name: 2-[[4-amino-5-(3-bromophenyl)-1,2,4-triazol-3-yl]thio]-N-(4-methoxy-2-methylphenyl)acetamide IUPAC Name: 2-[[4-amino-5-(3-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methoxy-2-methylphenyl)acetamide Traditional Name: 2-[[4-amino-5-(3-bromophenyl)-1,2,4-triazol-3-yl]thio]-N-(4-methoxy-2-methyl-phenyl)acetamide Formula: C18H18BrN5O2S MolecularWeight: 448.33682

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OC)NC(=O)CSC2=NN=C(N2N)C3=CC(=CC=C3)Br

Isomeric SMILES

CC1=C(C=CC(=C1)OC)NC(=O)CSC2=NN=C(N2N)C3=CC(=CC=C3)Br

InChI

InChI=1S/C18H18BrN5O2S/c1-11-8-14(26-2)6-7-15(11)21-16(25)10-27-18-23-22-17(24(18)20)12-4-3-5-13(19)9-12/h3-9H,10,20H2,1-2H3,(H,21,25)