4-(3-methylphenyl)-5-(thiomorpholin-4-ylmethyl)-1,2,4-triazole-3-thiolate

Systemtic Name: 4-(3-methylphenyl)-5-(thiomorpholin-4-ylmethyl)-1,2,4-triazole-3-thiolate Openeye Name: 4-(m-tolyl)-5-(thiomorpholinomethyl)-1,2,4-triazole-3-thiolate CAS Name: 4-(3-methylphenyl)-5-(thiomorpholin-4-ylmethyl)-1,2,4-triazole-3-thiolate IUPAC Name: 4-(3-methylphenyl)-5-(thiomorpholin-4-ylmethyl)-1,2,4-triazole-3-thiolate Traditional Name: 4-(m-tolyl)-5-(thiomorpholinomethyl)-1,2,4-triazole-3-thiolate Formula: C14H17N4S2- MolecularWeight: 305.44158

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=NN=C2[S-])CN3CCSCC3

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=NN=C2[S-])CN3CCSCC3

InChI

InChI=1S/C14H18N4S2/c1-11-3-2-4-12(9-11)18-13(15-16-14(18)19)10-17-5-7-20-8-6-17/h2-4,9H,5-8,10H2,1H3,(H,16,19)/p-1