3-[[(R)-(4-chlorophenyl)-phenyl-methyl]sulfanylmethyl]-1,2,3-benzotriazin-4-one

Systemtic Name: 3-[[(R)-(4-chlorophenyl)-phenyl-methyl]sulfanylmethyl]-1,2,3-benzotriazin-4-one Openeye Name: 3-[[(R)-(4-chlorophenyl)-phenyl-methyl]sulfanylmethyl]-1,2,3-benzotriazin-4-one CAS Name: 3-[[[(R)-(4-chlorophenyl)-phenylmethyl]thio]methyl]-1,2,3-benzotriazin-4-one IUPAC Name: 3-[[(R)-(4-chlorophenyl)-phenylmethyl]sulfanylmethyl]-1,2,3-benzotriazin-4-one Traditional Name: 3-[[[(R)-(4-chlorophenyl)-phenyl-methyl]thio]methyl]-1,2,3-benzotriazin-4-one Formula: C21H16ClN3OS MolecularWeight: 393.88924

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C2=CC=C(C=C2)Cl)SCN3C(=O)C4=CC=CC=C4N=N3

Isomeric SMILES

C1=CC=C(C=C1)[C@H](C2=CC=C(C=C2)Cl)SCN3C(=O)C4=CC=CC=C4N=N3

InChI

InChI=1S/C21H16ClN3OS/c22-17-12-10-16(11-13-17)20(15-6-2-1-3-7-15)27-14-25-21(26)18-8-4-5-9-19(18)23-24-25/h1-13,20H,14H2/t20-/m1/s1