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

Systemtic Name: 2-[[4-(4-bromophenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-6-nitro-1,3-benzothiazole Openeye Name: 2-[[4-(4-bromophenyl)-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]-6-nitro-1,3-benzothiazole CAS Name: 2-[[4-(4-bromophenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]thio]-6-nitro-1,3-benzothiazole IUPAC Name: 2-[[4-(4-bromophenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-6-nitro-1,3-benzothiazole Traditional Name: 2-[[4-(4-bromophenyl)-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]-6-nitro-1,3-benzothiazole Formula: C19H10BrN5O2S3 MolecularWeight: 516.414

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H10BrN5O2S3/c20-11-3-5-12(6-4-11)24-17(15-2-1-9-28-15)22-23-18(24)30-19-21-14-8-7-13(25(26)27)10-16(14)29-19/h1-10H