5-(4-bromophenyl)-N-(4-ethoxyphenyl)-3-(ethylsulfanylmethyl)-1,2,3-triazole-4-carboxamide

Systemtic Name: 5-(4-bromophenyl)-N-(4-ethoxyphenyl)-3-(ethylsulfanylmethyl)-1,2,3-triazole-4-carboxamide Openeye Name: 5-(4-bromophenyl)-N-(4-ethoxyphenyl)-3-(ethylsulfanylmethyl)triazole-4-carboxamide CAS Name: 5-(4-bromophenyl)-N-(4-ethoxyphenyl)-3-[(ethylthio)methyl]-4-triazolecarboxamide IUPAC Name: 5-(4-bromophenyl)-N-(4-ethoxyphenyl)-3-(ethylsulfanylmethyl)triazole-4-carboxamide Traditional Name: 5-(4-bromophenyl)-3-[(ethylthio)methyl]-N-p-phenetyl-triazole-4-carboxamide Formula: C20H21BrN4O2S MolecularWeight: 461.37534

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)C2=C(N=NN2CSCC)C3=CC=C(C=C3)Br

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)C2=C(N=NN2CSCC)C3=CC=C(C=C3)Br

InChI

InChI=1S/C20H21BrN4O2S/c1-3-27-17-11-9-16(10-12-17)22-20(26)19-18(14-5-7-15(21)8-6-14)23-24-25(19)13-28-4-2/h5-12H,3-4,13H2,1-2H3,(H,22,26)