5-[(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanylmethyl]-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide

Systemtic Name: 5-[(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanylmethyl]-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide Openeye Name: 5-[(4-amino-5-cyano-pyrimidin-2-yl)sulfanylmethyl]-N-(p-tolyl)-1,3,4-thiadiazole-2-carboxamide CAS Name: 5-[[(4-amino-5-cyano-2-pyrimidinyl)thio]methyl]-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide IUPAC Name: 5-[(4-amino-5-cyanopyrimidin-2-yl)sulfanylmethyl]-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide Traditional Name: 5-[[(4-amino-5-cyano-pyrimidin-2-yl)thio]methyl]-N-(p-tolyl)-1,3,4-thiadiazole-2-carboxamide Formula: C16H13N7OS2 MolecularWeight: 383.45072

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C2=NN=C(S2)CSC3=NC=C(C(=N3)N)C#N

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C2=NN=C(S2)CSC3=NC=C(C(=N3)N)C#N

InChI

InChI=1S/C16H13N7OS2/c1-9-2-4-11(5-3-9)20-14(24)15-23-22-12(26-15)8-25-16-19-7-10(6-17)13(18)21-16/h2-5,7H,8H2,1H3,(H,20,24)(H2,18,19,21)