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

Systemtic Name: N-(1,3-benzodioxol-5-yl)-3-(ethylsulfanylmethyl)-5-(4-methoxyphenyl)-1,2,3-triazole-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-yl)-3-(ethylsulfanylmethyl)-5-(4-methoxyphenyl)triazole-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-3-[(ethylthio)methyl]-5-(4-methoxyphenyl)-4-triazolecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-3-(ethylsulfanylmethyl)-5-(4-methoxyphenyl)triazole-4-carboxamide Traditional Name: N-(1,3-benzodioxol-5-yl)-3-[(ethylthio)methyl]-5-(4-methoxyphenyl)triazole-4-carboxamide Formula: C20H20N4O4S MolecularWeight: 412.4622

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Descriptors Computed from Structure

Canonical SMILES:

CCSCN1C(=C(N=N1)C2=CC=C(C=C2)OC)C(=O)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCSCN1C(=C(N=N1)C2=CC=C(C=C2)OC)C(=O)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H20N4O4S/c1-3-29-11-24-19(18(22-23-24)13-4-7-15(26-2)8-5-13)20(25)21-14-6-9-16-17(10-14)28-12-27-16/h4-10H,3,11-12H2,1-2H3,(H,21,25)