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

Systemtic Name: 6-nitro-2-[[4-(4-phenoxyphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-1,3-benzothiazole Openeye Name: 6-nitro-2-[[4-(4-phenoxyphenyl)-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]-1,3-benzothiazole CAS Name: 6-nitro-2-[[4-(4-phenoxyphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]thio]-1,3-benzothiazole IUPAC Name: 6-nitro-2-[[4-(4-phenoxyphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-1,3-benzothiazole Traditional Name: 6-nitro-2-[[4-(4-phenoxyphenyl)-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]-1,3-benzothiazole Formula: C25H15N5O3S3 MolecularWeight: 529.6133

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC=C(C=C2)N3C(=NN=C3SC4=NC5=C(S4)C=C(C=C5)[N+](=O)[O-])C6=CC=CS6

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=C(C=C2)N3C(=NN=C3SC4=NC5=C(S4)C=C(C=C5)[N+](=O)[O-])C6=CC=CS6

InChI

InChI=1S/C25H15N5O3S3/c31-30(32)17-10-13-20-22(15-17)35-25(26-20)36-24-28-27-23(21-7-4-14-34-21)29(24)16-8-11-19(12-9-16)33-18-5-2-1-3-6-18/h1-15H