2-[5-(4-chlorophenyl)-3-(4-nitrophenyl)-2H-1,2,3,4-tetrazol-1-yl]-1,3-benzothiazole

Systemtic Name: 2-[5-(4-chlorophenyl)-3-(4-nitrophenyl)-2H-1,2,3,4-tetrazol-1-yl]-1,3-benzothiazole Openeye Name: 2-[5-(4-chlorophenyl)-3-(4-nitrophenyl)-2H-tetrazol-1-yl]-1,3-benzothiazole CAS Name: 2-[5-(4-chlorophenyl)-3-(4-nitrophenyl)-2H-tetrazol-1-yl]-1,3-benzothiazole IUPAC Name: 2-[5-(4-chlorophenyl)-3-(4-nitrophenyl)-2H-tetrazol-1-yl]-1,3-benzothiazole Traditional Name: 2-[5-(4-chlorophenyl)-3-(4-nitrophenyl)-2H-tetrazol-1-yl]-1,3-benzothiazole Formula: C20H13ClN6O2S MolecularWeight: 436.87422

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)N3C(=NN(N3)C4=CC=C(C=C4)[N+](=O)[O-])C5=CC=C(C=C5)Cl

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)N3C(=NN(N3)C4=CC=C(C=C4)[N+](=O)[O-])C5=CC=C(C=C5)Cl

InChI

InChI=1S/C20H13ClN6O2S/c21-14-7-5-13(6-8-14)19-23-26(15-9-11-16(12-10-15)27(28)29)24-25(19)20-22-17-3-1-2-4-18(17)30-20/h1-12,24H