1-methyl-4-[(4-nitrophenyl)methylsulfanyl]phthalazine

Systemtic Name: 1-methyl-4-[(4-nitrophenyl)methylsulfanyl]phthalazine Openeye Name: 1-methyl-4-[(4-nitrophenyl)methylsulfanyl]phthalazine CAS Name: 1-methyl-4-[(4-nitrophenyl)methylthio]phthalazine IUPAC Name: 1-methyl-4-[(4-nitrophenyl)methylsulfanyl]phthalazine Traditional Name: 1-methyl-4-[(4-nitrobenzyl)thio]phthalazine Formula: C16H13N3O2S MolecularWeight: 311.35832

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(C2=CC=CC=C12)SCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=NN=C(C2=CC=CC=C12)SCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H13N3O2S/c1-11-14-4-2-3-5-15(14)16(18-17-11)22-10-12-6-8-13(9-7-12)19(20)21/h2-9H,10H2,1H3