N-[3-[(4-nitrophenoxy)methyl]-5-sulfanylidene-1H-1,2,4-triazol-4-yl]pyrazine-2-carboxamide

Systemtic Name: N-[3-[(4-nitrophenoxy)methyl]-5-sulfanylidene-1H-1,2,4-triazol-4-yl]pyrazine-2-carboxamide Openeye Name: N-[3-[(4-nitrophenoxy)methyl]-5-thioxo-1H-1,2,4-triazol-4-yl]pyrazine-2-carboxamide CAS Name: N-[3-[(4-nitrophenoxy)methyl]-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-2-pyrazinecarboxamide IUPAC Name: N-[3-[(4-nitrophenoxy)methyl]-5-sulfanylidene-1H-1,2,4-triazol-4-yl]pyrazine-2-carboxamide Traditional Name: N-[3-[(4-nitrophenoxy)methyl]-5-thioxo-1H-1,2,4-triazol-4-yl]pyrazinamide Formula: C14H11N7O4S MolecularWeight: 373.34664

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1[N+](=O)[O-])OCC2=NNC(=S)N2NC(=O)C3=NC=CN=C3

Isomeric SMILES

C1=CC(=CC=C1[N+](=O)[O-])OCC2=NNC(=S)N2NC(=O)C3=NC=CN=C3

InChI

InChI=1S/C14H11N7O4S/c22-13(11-7-15-5-6-16-11)19-20-12(17-18-14(20)26)8-25-10-3-1-9(2-4-10)21(23)24/h1-7H,8H2,(H,18,26)(H,19,22)