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

Systemtic Name: 5-[(4-methoxyphenyl)methyl]-4-(phenylcarbamothioylamino)-1,2,4-triazole-3-thiolate Openeye Name: 5-[(4-methoxyphenyl)methyl]-4-(phenylcarbamothioylamino)-1,2,4-triazole-3-thiolate CAS Name: 4-[[anilino(sulfanylidene)methyl]amino]-5-[(4-methoxyphenyl)methyl]-1,2,4-triazole-3-thiolate IUPAC Name: 5-[(4-methoxyphenyl)methyl]-4-(phenylcarbamothioylamino)-1,2,4-triazole-3-thiolate Traditional Name: 5-p-anisyl-4-(phenylthiocarbamoylamino)-1,2,4-triazole-3-thiolate Formula: C17H16N5OS2- MolecularWeight: 370.47184

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CC2=NN=C(N2NC(=S)NC3=CC=CC=C3)[S-]

Isomeric SMILES

COC1=CC=C(C=C1)CC2=NN=C(N2NC(=S)NC3=CC=CC=C3)[S-]

InChI

InChI=1S/C17H17N5OS2/c1-23-14-9-7-12(8-10-14)11-15-19-20-17(25)22(15)21-16(24)18-13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,20,25)(H2,18,21,24)/p-1