5-[chloranyl-(4-methylphenyl)sulfonyl-methyl]-3-(4-nitrophenyl)-6-phenyl-1,2,4-triazine

Systemtic Name: 5-[chloranyl-(4-methylphenyl)sulfonyl-methyl]-3-(4-nitrophenyl)-6-phenyl-1,2,4-triazine Openeye Name: 5-[chloro(p-tolylsulfonyl)methyl]-3-(4-nitrophenyl)-6-phenyl-1,2,4-triazine CAS Name: 5-[chloro-(4-methylphenyl)sulfonylmethyl]-3-(4-nitrophenyl)-6-phenyl-1,2,4-triazine IUPAC Name: 5-[chloro-(4-methylphenyl)sulfonylmethyl]-3-(4-nitrophenyl)-6-phenyl-1,2,4-triazine Traditional Name: 5-[chloro(tosyl)methyl]-3-(4-nitrophenyl)-6-phenyl-1,2,4-triazine Formula: C23H17ClN4O4S MolecularWeight: 480.92348

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C(C2=C(N=NC(=N2)C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4)Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C(C2=C(N=NC(=N2)C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4)Cl

InChI

InChI=1S/C23H17ClN4O4S/c1-15-7-13-19(14-8-15)33(31,32)22(24)21-20(16-5-3-2-4-6-16)26-27-23(25-21)17-9-11-18(12-10-17)28(29)30/h2-14,22H,1H3