4-methyl-2-[(4-nitrophenyl)methylsulfanyl]quinazoline

Systemtic Name: 4-methyl-2-[(4-nitrophenyl)methylsulfanyl]quinazoline Openeye Name: 4-methyl-2-[(4-nitrophenyl)methylsulfanyl]quinazoline CAS Name: 4-methyl-2-[(4-nitrophenyl)methylthio]quinazoline IUPAC Name: 4-methyl-2-[(4-nitrophenyl)methylsulfanyl]quinazoline Traditional Name: 4-methyl-2-[(4-nitrobenzyl)thio]quinazoline Formula: C16H13N3O2S MolecularWeight: 311.35832

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC2=CC=CC=C12)SCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=NC(=NC2=CC=CC=C12)SCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

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