2-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylamino]-3-nitro-1H-pyridin-4-one

Systemtic Name: 2-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylamino]-3-nitro-1H-pyridin-4-one Openeye Name: 2-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylamino]-3-nitro-1H-pyridin-4-one CAS Name: 2-[2-[(5-methyl-1H-imidazol-4-yl)methylthio]ethylamino]-3-nitro-1H-pyridin-4-one IUPAC Name: 2-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylamino]-3-nitro-1H-pyridin-4-one Traditional Name: 2-[2-[(5-methyl-1H-imidazol-4-yl)methylthio]ethylamino]-3-nitro-4-pyridone Formula: C12H15N5O3S MolecularWeight: 309.3442

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CN1)CSCCNC2=C(C(=O)C=CN2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(N=CN1)CSCCNC2=C(C(=O)C=CN2)[N+](=O)[O-]

InChI

InChI=1S/C12H15N5O3S/c1-8-9(16-7-15-8)6-21-5-4-14-12-11(17(19)20)10(18)2-3-13-12/h2-3,7H,4-6H2,1H3,(H,15,16)(H2,13,14,18)