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

Systemtic Name: 1-[3-[(4-methoxyphenyl)methyl]-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-3-(4-methylphenyl)sulfonyl-urea Openeye Name: 1-[3-[(4-methoxyphenyl)methyl]-5-thioxo-1H-1,2,4-triazol-4-yl]-3-(p-tolylsulfonyl)urea CAS Name: 1-[3-[(4-methoxyphenyl)methyl]-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-3-(4-methylphenyl)sulfonylurea IUPAC Name: 1-[3-[(4-methoxyphenyl)methyl]-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-3-(4-methylphenyl)sulfonylurea Traditional Name: 1-(3-p-anisyl-5-thioxo-1H-1,2,4-triazol-4-yl)-3-tosyl-urea Formula: C18H19N5O4S2 MolecularWeight: 433.50456

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NN2C(=NNC2=S)CC3=CC=C(C=C3)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NN2C(=NNC2=S)CC3=CC=C(C=C3)OC

InChI

InChI=1S/C18H19N5O4S2/c1-12-3-9-15(10-4-12)29(25,26)22-17(24)21-23-16(19-20-18(23)28)11-13-5-7-14(27-2)8-6-13/h3-10H,11H2,1-2H3,(H,20,28)(H2,21,22,24)