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

Systemtic Name: 2-[[4-azanyl-5-(4-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methoxyphenyl)ethanamide Openeye Name: 2-[[4-amino-5-(4-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methoxyphenyl)acetamide CAS Name: 2-[[4-amino-5-(4-bromophenyl)-1,2,4-triazol-3-yl]thio]-N-(4-methoxyphenyl)acetamide IUPAC Name: 2-[[4-amino-5-(4-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methoxyphenyl)acetamide Traditional Name: 2-[[4-amino-5-(4-bromophenyl)-1,2,4-triazol-3-yl]thio]-N-(4-methoxyphenyl)acetamide Formula: C17H16BrN5O2S MolecularWeight: 434.31024

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2N)C3=CC=C(C=C3)Br

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2N)C3=CC=C(C=C3)Br

InChI

InChI=1S/C17H16BrN5O2S/c1-25-14-8-6-13(7-9-14)20-15(24)10-26-17-22-21-16(23(17)19)11-2-4-12(18)5-3-11/h2-9H,10,19H2,1H3,(H,20,24)