1-[3-[(4-ethoxyphenyl)methyl]-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-3-(4-methylphenyl)sulfonyl-urea

Systemtic Name: 1-[3-[(4-ethoxyphenyl)methyl]-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-3-(4-methylphenyl)sulfonyl-urea Openeye Name: 1-[3-[(4-ethoxyphenyl)methyl]-5-thioxo-1H-1,2,4-triazol-4-yl]-3-(p-tolylsulfonyl)urea CAS Name: 1-[3-[(4-ethoxyphenyl)methyl]-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-3-(4-methylphenyl)sulfonylurea IUPAC Name: 1-[3-[(4-ethoxyphenyl)methyl]-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-3-(4-methylphenyl)sulfonylurea Traditional Name: 1-[3-(4-ethoxybenzyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-3-tosyl-urea Formula: C19H21N5O4S2 MolecularWeight: 447.53114

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CC2=NNC(=S)N2NC(=O)NS(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCOC1=CC=C(C=C1)CC2=NNC(=S)N2NC(=O)NS(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C19H21N5O4S2/c1-3-28-15-8-6-14(7-9-15)12-17-20-21-19(29)24(17)22-18(25)23-30(26,27)16-10-4-13(2)5-11-16/h4-11H,3,12H2,1-2H3,(H,21,29)(H2,22,23,25)