1-[(3-nitro-1,2,4-triazol-1-yl)methyl]-N-(2-sulfanylethyl)pyrazole-3-carboxamide

Systemtic Name: 1-[(3-nitro-1,2,4-triazol-1-yl)methyl]-N-(2-sulfanylethyl)pyrazole-3-carboxamide Openeye Name: 1-[(3-nitro-1,2,4-triazol-1-yl)methyl]-N-(2-sulfanylethyl)pyrazole-3-carboxamide CAS Name: N-(2-mercaptoethyl)-1-[(3-nitro-1,2,4-triazol-1-yl)methyl]-3-pyrazolecarboxamide IUPAC Name: 1-[(3-nitro-1,2,4-triazol-1-yl)methyl]-N-(2-sulfanylethyl)pyrazole-3-carboxamide Traditional Name: N-(2-mercaptoethyl)-1-[(3-nitro-1,2,4-triazol-1-yl)methyl]pyrazole-3-carboxamide Formula: C9H11N7O3S MolecularWeight: 297.29374

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(N=C1C(=O)NCCS)CN2C=NC(=N2)[N+](=O)[O-]

Isomeric SMILES

C1=CN(N=C1C(=O)NCCS)CN2C=NC(=N2)[N+](=O)[O-]

InChI

InChI=1S/C9H11N7O3S/c17-8(10-2-4-20)7-1-3-14(12-7)6-15-5-11-9(13-15)16(18)19/h1,3,5,20H,2,4,6H2,(H,10,17)