2-[[5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-6-nitro-1,3-benzothiazole

Systemtic Name: 2-[[5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-6-nitro-1,3-benzothiazole Openeye Name: 2-[[5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-6-nitro-1,3-benzothiazole CAS Name: 2-[[5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-6-nitro-1,3-benzothiazole IUPAC Name: 2-[[5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-6-nitro-1,3-benzothiazole Traditional Name: 2-[[5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-6-nitro-1,3-benzothiazole Formula: C22H15N5O3S2 MolecularWeight: 461.5162

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SC4=NC5=C(S4)C=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SC4=NC5=C(S4)C=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C22H15N5O3S2/c1-30-17-10-7-14(8-11-17)20-24-25-21(26(20)15-5-3-2-4-6-15)32-22-23-18-12-9-16(27(28)29)13-19(18)31-22/h2-13H,1H3