4-(4-methoxyphenyl)-3-[(5-nitro-1,3-thiazol-2-yl)sulfanyl]-1H-1,2,4-triazol-5-one

Systemtic Name: 4-(4-methoxyphenyl)-3-[(5-nitro-1,3-thiazol-2-yl)sulfanyl]-1H-1,2,4-triazol-5-one Openeye Name: 4-(4-methoxyphenyl)-3-(5-nitrothiazol-2-yl)sulfanyl-1H-1,2,4-triazol-5-one CAS Name: 4-(4-methoxyphenyl)-3-[(5-nitro-2-thiazolyl)thio]-1H-1,2,4-triazol-5-one IUPAC Name: 4-(4-methoxyphenyl)-3-[(5-nitro-1,3-thiazol-2-yl)sulfanyl]-1H-1,2,4-triazol-5-one Traditional Name: 4-(4-methoxyphenyl)-3-[(5-nitrothiazol-2-yl)thio]-1H-1,2,4-triazol-5-one Formula: C12H9N5O4S2 MolecularWeight: 351.36096

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=O)NN=C2SC3=NC=C(S3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=O)NN=C2SC3=NC=C(S3)[N+](=O)[O-]

InChI

InChI=1S/C12H9N5O4S2/c1-21-8-4-2-7(3-5-8)16-10(18)14-15-11(16)23-12-13-6-9(22-12)17(19)20/h2-6H,1H3,(H,14,18)