3-(ethylsulfanylmethyl)-5-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]-1,2,3-triazole-4-carboxamide

Systemtic Name: 3-(ethylsulfanylmethyl)-5-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]-1,2,3-triazole-4-carboxamide Openeye Name: 3-(ethylsulfanylmethyl)-5-(4-methoxyphenyl)-N-(p-tolylmethyl)triazole-4-carboxamide CAS Name: 3-[(ethylthio)methyl]-5-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]-4-triazolecarboxamide IUPAC Name: 3-(ethylsulfanylmethyl)-5-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]triazole-4-carboxamide Traditional Name: 3-[(ethylthio)methyl]-5-(4-methoxyphenyl)-N-(4-methylbenzyl)triazole-4-carboxamide Formula: C21H24N4O2S MolecularWeight: 396.50586

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Descriptors Computed from Structure

Canonical SMILES:

CCSCN1C(=C(N=N1)C2=CC=C(C=C2)OC)C(=O)NCC3=CC=C(C=C3)C

Isomeric SMILES

CCSCN1C(=C(N=N1)C2=CC=C(C=C2)OC)C(=O)NCC3=CC=C(C=C3)C

InChI

InChI=1S/C21H24N4O2S/c1-4-28-14-25-20(21(26)22-13-16-7-5-15(2)6-8-16)19(23-24-25)17-9-11-18(27-3)12-10-17/h5-12H,4,13-14H2,1-3H3,(H,22,26)