N'-(4-methylphenyl)sulfonyl-N-[3-[(4-propan-2-yloxyphenyl)methyl]-5-sulfanidyl-1,2,4-triazol-4-yl]carbamimidate

Systemtic Name: N'-(4-methylphenyl)sulfonyl-N-[3-[(4-propan-2-yloxyphenyl)methyl]-5-sulfanidyl-1,2,4-triazol-4-yl]carbamimidate Openeye Name: N-[3-[(4-isopropoxyphenyl)methyl]-5-sulfido-1,2,4-triazol-4-yl]-N'-(p-tolylsulfonyl)carbamimidate CAS Name: N'-(4-methylphenyl)sulfonyl-N-[3-[(4-propan-2-yloxyphenyl)methyl]-5-sulfido-1,2,4-triazol-4-yl]carbamimidate IUPAC Name: N'-(4-methylphenyl)sulfonyl-N-[3-[(4-propan-2-yloxyphenyl)methyl]-5-sulfido-1,2,4-triazol-4-yl]carbamimidate Traditional Name: N-[3-(4-isopropoxybenzyl)-5-sulfido-1,2,4-triazol-4-yl]-N'-tosyl-carbamimidate Formula: C20H21N5O4S2-2 MolecularWeight: 459.54184

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N=C(NN2C(=NN=C2[S-])CC3=CC=C(C=C3)OC(C)C)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N=C(NN2C(=NN=C2[S-])CC3=CC=C(C=C3)OC(C)C)[O-]

InChI

InChI=1S/C20H23N5O4S2/c1-13(2)29-16-8-6-15(7-9-16)12-18-21-22-20(30)25(18)23-19(26)24-31(27,28)17-10-4-14(3)5-11-17/h4-11,13H,12H2,1-3H3,(H,22,30)(H2,23,24,26)/p-2