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

Systemtic Name: 4-(4-tert-butylphenyl)-3-[(5-nitro-1,3-thiazol-2-yl)sulfanyl]-1H-1,2,4-triazol-5-one Openeye Name: 4-(4-tert-butylphenyl)-3-(5-nitrothiazol-2-yl)sulfanyl-1H-1,2,4-triazol-5-one CAS Name: 4-(4-tert-butylphenyl)-3-[(5-nitro-2-thiazolyl)thio]-1H-1,2,4-triazol-5-one IUPAC Name: 4-(4-tert-butylphenyl)-3-[(5-nitro-1,3-thiazol-2-yl)sulfanyl]-1H-1,2,4-triazol-5-one Traditional Name: 4-(4-tert-butylphenyl)-3-[(5-nitrothiazol-2-yl)thio]-1H-1,2,4-triazol-5-one Formula: C15H15N5O3S2 MolecularWeight: 377.4413

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H15N5O3S2/c1-15(2,3)9-4-6-10(7-5-9)19-12(21)17-18-13(19)25-14-16-8-11(24-14)20(22)23/h4-8H,1-3H3,(H,17,21)