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

Systemtic Name: 4-(3,4-dimethoxyphenyl)-3-[(5-nitro-1,3-thiazol-2-yl)sulfanyl]-1H-1,2,4-triazol-5-one Openeye Name: 4-(3,4-dimethoxyphenyl)-3-(5-nitrothiazol-2-yl)sulfanyl-1H-1,2,4-triazol-5-one CAS Name: 4-(3,4-dimethoxyphenyl)-3-[(5-nitro-2-thiazolyl)thio]-1H-1,2,4-triazol-5-one IUPAC Name: 4-(3,4-dimethoxyphenyl)-3-[(5-nitro-1,3-thiazol-2-yl)sulfanyl]-1H-1,2,4-triazol-5-one Traditional Name: 4-(3,4-dimethoxyphenyl)-3-[(5-nitrothiazol-2-yl)thio]-1H-1,2,4-triazol-5-one Formula: C13H11N5O5S2 MolecularWeight: 381.38694

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H11N5O5S2/c1-22-8-4-3-7(5-9(8)23-2)17-11(19)15-16-12(17)25-13-14-6-10(24-13)18(20)21/h3-6H,1-2H3,(H,15,19)