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

Systemtic Name: 5-[(4-ethoxyphenyl)methyl]-4-(phenylcarbamothioylamino)-1,2,4-triazole-3-thiolate Openeye Name: 5-[(4-ethoxyphenyl)methyl]-4-(phenylcarbamothioylamino)-1,2,4-triazole-3-thiolate CAS Name: 4-[[anilino(sulfanylidene)methyl]amino]-5-[(4-ethoxyphenyl)methyl]-1,2,4-triazole-3-thiolate IUPAC Name: 5-[(4-ethoxyphenyl)methyl]-4-(phenylcarbamothioylamino)-1,2,4-triazole-3-thiolate Traditional Name: 5-(4-ethoxybenzyl)-4-(phenylthiocarbamoylamino)-1,2,4-triazole-3-thiolate Formula: C18H18N5OS2- MolecularWeight: 384.49842

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CC2=NN=C(N2NC(=S)NC3=CC=CC=C3)[S-]

Isomeric SMILES

CCOC1=CC=C(C=C1)CC2=NN=C(N2NC(=S)NC3=CC=CC=C3)[S-]

InChI

InChI=1S/C18H19N5OS2/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/h3-11H,2,12H2,1H3,(H,21,26)(H2,19,22,25)/p-1