4-methyl-3-(2-nitro-5-pyrrolidin-1-yl-phenyl)sulfanyl-1,2,4-triazole

Systemtic Name: 4-methyl-3-(2-nitro-5-pyrrolidin-1-yl-phenyl)sulfanyl-1,2,4-triazole Openeye Name: 4-methyl-3-(2-nitro-5-pyrrolidin-1-yl-phenyl)sulfanyl-1,2,4-triazole CAS Name: 4-methyl-3-[[2-nitro-5-(1-pyrrolidinyl)phenyl]thio]-1,2,4-triazole IUPAC Name: 4-methyl-3-(2-nitro-5-pyrrolidin-1-ylphenyl)sulfanyl-1,2,4-triazole Traditional Name: 4-methyl-3-[(2-nitro-5-pyrrolidino-phenyl)thio]-1,2,4-triazole Formula: C13H15N5O2S MolecularWeight: 305.3555

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN=C1SC2=C(C=CC(=C2)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

CN1C=NN=C1SC2=C(C=CC(=C2)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C13H15N5O2S/c1-16-9-14-15-13(16)21-12-8-10(17-6-2-3-7-17)4-5-11(12)18(19)20/h4-5,8-9H,2-3,6-7H2,1H3