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

Systemtic Name: 5-nitro-2-[[4-(4-phenoxyphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-1,3-thiazole Openeye Name: 5-nitro-2-[[4-(4-phenoxyphenyl)-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]thiazole CAS Name: 5-nitro-2-[[4-(4-phenoxyphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]thio]thiazole IUPAC Name: 5-nitro-2-[[4-(4-phenoxyphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-1,3-thiazole Traditional Name: 5-nitro-2-[[4-(4-phenoxyphenyl)-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]thiazole Formula: C21H13N5O3S3 MolecularWeight: 479.55462

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC=C(C=C2)N3C(=NN=C3SC4=NC=C(S4)[N+](=O)[O-])C5=CC=CS5

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=C(C=C2)N3C(=NN=C3SC4=NC=C(S4)[N+](=O)[O-])C5=CC=CS5

InChI

InChI=1S/C21H13N5O3S3/c27-26(28)18-13-22-21(31-18)32-20-24-23-19(17-7-4-12-30-17)25(20)14-8-10-16(11-9-14)29-15-5-2-1-3-6-15/h1-13H