N-[2-[[4-azanyl-5-(2-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoyl]-4-methoxy-benzamide

Systemtic Name: N-[2-[[4-azanyl-5-(2-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoyl]-4-methoxy-benzamide Openeye Name: N-[2-[[4-amino-5-(2-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]-4-methoxy-benzamide CAS Name: N-[2-[[4-amino-5-(2-bromophenyl)-1,2,4-triazol-3-yl]thio]-1-oxoethyl]-4-methoxybenzamide IUPAC Name: N-[2-[[4-amino-5-(2-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]-4-methoxybenzamide Traditional Name: N-[2-[[4-amino-5-(2-bromophenyl)-1,2,4-triazol-3-yl]thio]acetyl]-4-methoxy-benzamide Formula: C18H16BrN5O3S MolecularWeight: 462.32034

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)NC(=O)CSC2=NN=C(N2N)C3=CC=CC=C3Br

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)NC(=O)CSC2=NN=C(N2N)C3=CC=CC=C3Br

InChI

InChI=1S/C18H16BrN5O3S/c1-27-12-8-6-11(7-9-12)17(26)21-15(25)10-28-18-23-22-16(24(18)20)13-4-2-3-5-14(13)19/h2-9H,10,20H2,1H3,(H,21,25,26)