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

Systemtic Name: 4-(cyclohexylcarbamothioylamino)-5-[(4-ethoxyphenyl)methyl]-1,2,4-triazole-3-thiolate Openeye Name: 4-(cyclohexylcarbamothioylamino)-5-[(4-ethoxyphenyl)methyl]-1,2,4-triazole-3-thiolate CAS Name: 4-[[(cyclohexylamino)-sulfanylidenemethyl]amino]-5-[(4-ethoxyphenyl)methyl]-1,2,4-triazole-3-thiolate IUPAC Name: 4-(cyclohexylcarbamothioylamino)-5-[(4-ethoxyphenyl)methyl]-1,2,4-triazole-3-thiolate Traditional Name: 4-(cyclohexylthiocarbamoylamino)-5-(4-ethoxybenzyl)-1,2,4-triazole-3-thiolate Formula: C18H24N5OS2- MolecularWeight: 390.54606

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CC2=NN=C(N2NC(=S)NC3CCCCC3)[S-]

Isomeric SMILES

CCOC1=CC=C(C=C1)CC2=NN=C(N2NC(=S)NC3CCCCC3)[S-]

InChI

InChI=1S/C18H25N5OS2/c1-2-24-15-10-8-13(9-11-15)12-16-20-21-18(26)23(16)22-17(25)19-14-6-4-3-5-7-14/h8-11,14H,2-7,12H2,1H3,(H,21,26)(H2,19,22,25)/p-1