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

Systemtic Name: 2-[[5-(2-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-6-nitro-1,3-benzothiazole Openeye Name: 2-[[5-(2-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-6-nitro-1,3-benzothiazole CAS Name: 2-[[5-(2-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-6-nitro-1,3-benzothiazole IUPAC Name: 2-[[5-(2-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-6-nitro-1,3-benzothiazole Traditional Name: 2-[[5-(2-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-6-nitro-1,3-benzothiazole Formula: C21H12ClN5O2S2 MolecularWeight: 465.93528

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=C2SC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-])C5=CC=CC=C5Cl

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=C2SC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-])C5=CC=CC=C5Cl

InChI

InChI=1S/C21H12ClN5O2S2/c22-16-9-5-4-8-15(16)19-24-25-20(26(19)13-6-2-1-3-7-13)31-21-23-17-11-10-14(27(28)29)12-18(17)30-21/h1-12H