4,6-dimethyl-2-[(3-nitrophenyl)methylsulfanyl]quinazoline

Systemtic Name: 4,6-dimethyl-2-[(3-nitrophenyl)methylsulfanyl]quinazoline Openeye Name: 4,6-dimethyl-2-[(3-nitrophenyl)methylsulfanyl]quinazoline CAS Name: 4,6-dimethyl-2-[(3-nitrophenyl)methylthio]quinazoline IUPAC Name: 4,6-dimethyl-2-[(3-nitrophenyl)methylsulfanyl]quinazoline Traditional Name: 4,6-dimethyl-2-[(3-nitrobenzyl)thio]quinazoline Formula: C17H15N3O2S MolecularWeight: 325.3849

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(N=C2C)SCC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(N=C2C)SCC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H15N3O2S/c1-11-6-7-16-15(8-11)12(2)18-17(19-16)23-10-13-4-3-5-14(9-13)20(21)22/h3-9H,10H2,1-2H3