4-[3-[(5-nitro-1,3-thiazol-2-yl)sulfanyl]-5-thiophen-2-yl-1,2,4-triazol-4-yl]benzoic acid

Systemtic Name: 4-[3-[(5-nitro-1,3-thiazol-2-yl)sulfanyl]-5-thiophen-2-yl-1,2,4-triazol-4-yl]benzoic acid Openeye Name: 4-[3-(5-nitrothiazol-2-yl)sulfanyl-5-(2-thienyl)-1,2,4-triazol-4-yl]benzoic acid CAS Name: 4-[3-[(5-nitro-2-thiazolyl)thio]-5-thiophen-2-yl-1,2,4-triazol-4-yl]benzoic acid IUPAC Name: 4-[3-[(5-nitro-1,3-thiazol-2-yl)sulfanyl]-5-thiophen-2-yl-1,2,4-triazol-4-yl]benzoic acid Traditional Name: 4-[3-[(5-nitrothiazol-2-yl)thio]-5-(2-thienyl)-1,2,4-triazol-4-yl]benzoic acid Formula: C16H9N5O4S3 MolecularWeight: 431.46876

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C2=NN=C(N2C3=CC=C(C=C3)C(=O)O)SC4=NC=C(S4)[N+](=O)[O-]

Isomeric SMILES

C1=CSC(=C1)C2=NN=C(N2C3=CC=C(C=C3)C(=O)O)SC4=NC=C(S4)[N+](=O)[O-]

InChI

InChI=1S/C16H9N5O4S3/c22-14(23)9-3-5-10(6-4-9)20-13(11-2-1-7-26-11)18-19-15(20)28-16-17-8-12(27-16)21(24)25/h1-8H,(H,22,23)