1-methyl-3-nitro-5-(2-pyrrolidin-1-ylethylsulfanyl)-1,2,4-triazole

Systemtic Name: 1-methyl-3-nitro-5-(2-pyrrolidin-1-ylethylsulfanyl)-1,2,4-triazole Openeye Name: 1-methyl-3-nitro-5-(2-pyrrolidin-1-ylethylsulfanyl)-1,2,4-triazole CAS Name: 1-methyl-3-nitro-5-[2-(1-pyrrolidinyl)ethylthio]-1,2,4-triazole IUPAC Name: 1-methyl-3-nitro-5-(2-pyrrolidin-1-ylethylsulfanyl)-1,2,4-triazole Traditional Name: 1-methyl-3-nitro-5-(2-pyrrolidinoethylthio)-1,2,4-triazole Formula: C9H15N5O2S MolecularWeight: 257.3127

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NC(=N1)[N+](=O)[O-])SCCN2CCCC2

Isomeric SMILES

CN1C(=NC(=N1)[N+](=O)[O-])SCCN2CCCC2

InChI

InChI=1S/C9H15N5O2S/c1-12-9(10-8(11-12)14(15)16)17-7-6-13-4-2-3-5-13/h2-7H2,1H3