4-(cyclohexylcarbamothioylamino)-5-[(4-propan-2-yloxyphenyl)methyl]-1,2,4-triazole-3-thiolate

Systemtic Name: 4-(cyclohexylcarbamothioylamino)-5-[(4-propan-2-yloxyphenyl)methyl]-1,2,4-triazole-3-thiolate Openeye Name: 4-(cyclohexylcarbamothioylamino)-5-[(4-isopropoxyphenyl)methyl]-1,2,4-triazole-3-thiolate CAS Name: 4-[[(cyclohexylamino)-sulfanylidenemethyl]amino]-5-[(4-propan-2-yloxyphenyl)methyl]-1,2,4-triazole-3-thiolate IUPAC Name: 4-(cyclohexylcarbamothioylamino)-5-[(4-propan-2-yloxyphenyl)methyl]-1,2,4-triazole-3-thiolate Traditional Name: 4-(cyclohexylthiocarbamoylamino)-5-(4-isopropoxybenzyl)-1,2,4-triazole-3-thiolate Formula: C19H26N5OS2- MolecularWeight: 404.57264

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)CC2=NN=C(N2NC(=S)NC3CCCCC3)[S-]

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)CC2=NN=C(N2NC(=S)NC3CCCCC3)[S-]

InChI

InChI=1S/C19H27N5OS2/c1-13(2)25-16-10-8-14(9-11-16)12-17-21-22-19(27)24(17)23-18(26)20-15-6-4-3-5-7-15/h8-11,13,15H,3-7,12H2,1-2H3,(H,22,27)(H2,20,23,26)/p-1