6-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(1-methylpyrazol-3-yl)-3-(4-methylsulfonylphenyl)sulfanyl-pyrazine-2-carboxamide

Systemtic Name: 6-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(1-methylpyrazol-3-yl)-3-(4-methylsulfonylphenyl)sulfanyl-pyrazine-2-carboxamide Openeye Name: 6-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(1-methylpyrazol-3-yl)-3-(4-methylsulfonylphenyl)sulfanyl-pyrazine-2-carboxamide CAS Name: 6-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-N-(1-methyl-3-pyrazolyl)-3-[(4-methylsulfonylphenyl)thio]-2-pyrazinecarboxamide IUPAC Name: 6-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(1-methylpyrazol-3-yl)-3-(4-methylsulfonylphenyl)sulfanylpyrazine-2-carboxamide Traditional Name: 6-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-3-[(4-mesylphenyl)thio]-N-(1-methylpyrazol-3-yl)pyrazinamide Formula: C18H17N9O3S3 MolecularWeight: 503.58108

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC(=N1)NC(=O)C2=NC(=CN=C2SC3=CC=C(C=C3)S(=O)(=O)C)SC4=NNC(=N4)N

Isomeric SMILES

CN1C=CC(=N1)NC(=O)C2=NC(=CN=C2SC3=CC=C(C=C3)S(=O)(=O)C)SC4=NNC(=N4)N

InChI

InChI=1S/C18H17N9O3S3/c1-27-8-7-12(26-27)21-15(28)14-16(31-10-3-5-11(6-4-10)33(2,29)30)20-9-13(22-14)32-18-23-17(19)24-25-18/h3-9H,1-2H3,(H,21,26,28)(H3,19,23,24,25)