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

Systemtic Name: N-(3-bromophenyl)-2-[[5-(3-methoxyphenyl)-4-pyrrol-1-yl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(3-bromophenyl)-2-[[5-(3-methoxyphenyl)-4-pyrrol-1-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(3-bromophenyl)-2-[[5-(3-methoxyphenyl)-4-(1-pyrrolyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(3-bromophenyl)-2-[[5-(3-methoxyphenyl)-4-pyrrol-1-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(3-bromophenyl)-2-[[5-(3-methoxyphenyl)-4-pyrrol-1-yl-1,2,4-triazol-3-yl]thio]acetamide Formula: C21H18BrN5O2S MolecularWeight: 484.36892

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=NN=C(N2N3C=CC=C3)SCC(=O)NC4=CC(=CC=C4)Br

Isomeric SMILES

COC1=CC=CC(=C1)C2=NN=C(N2N3C=CC=C3)SCC(=O)NC4=CC(=CC=C4)Br

InChI

InChI=1S/C21H18BrN5O2S/c1-29-18-9-4-6-15(12-18)20-24-25-21(27(20)26-10-2-3-11-26)30-14-19(28)23-17-8-5-7-16(22)13-17/h2-13H,14H2,1H3,(H,23,28)