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

Systemtic Name: N-(4-ethoxyphenyl)-3-(ethylsulfanylmethyl)-5-(4-methoxyphenyl)-1,2,3-triazole-4-carboxamide Openeye Name: N-(4-ethoxyphenyl)-3-(ethylsulfanylmethyl)-5-(4-methoxyphenyl)triazole-4-carboxamide CAS Name: N-(4-ethoxyphenyl)-3-[(ethylthio)methyl]-5-(4-methoxyphenyl)-4-triazolecarboxamide IUPAC Name: N-(4-ethoxyphenyl)-3-(ethylsulfanylmethyl)-5-(4-methoxyphenyl)triazole-4-carboxamide Traditional Name: 3-[(ethylthio)methyl]-5-(4-methoxyphenyl)-N-p-phenetyl-triazole-4-carboxamide Formula: C21H24N4O3S MolecularWeight: 412.50526

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4O3S/c1-4-28-18-12-8-16(9-13-18)22-21(26)20-19(23-24-25(20)14-29-5-2)15-6-10-17(27-3)11-7-15/h6-13H,4-5,14H2,1-3H3,(H,22,26)