4,6,7-trimethyl-2-[(4-nitrophenyl)methylsulfanyl]quinazoline

Systemtic Name: 4,6,7-trimethyl-2-[(4-nitrophenyl)methylsulfanyl]quinazoline Openeye Name: 4,6,7-trimethyl-2-[(4-nitrophenyl)methylsulfanyl]quinazoline CAS Name: 4,6,7-trimethyl-2-[(4-nitrophenyl)methylthio]quinazoline IUPAC Name: 4,6,7-trimethyl-2-[(4-nitrophenyl)methylsulfanyl]quinazoline Traditional Name: 4,6,7-trimethyl-2-[(4-nitrobenzyl)thio]quinazoline Formula: C18H17N3O2S MolecularWeight: 339.41148

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=NC(=N2)SCC3=CC=C(C=C3)[N+](=O)[O-])C)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=NC(=N2)SCC3=CC=C(C=C3)[N+](=O)[O-])C)C

InChI

InChI=1S/C18H17N3O2S/c1-11-8-16-13(3)19-18(20-17(16)9-12(11)2)24-10-14-4-6-15(7-5-14)21(22)23/h4-9H,10H2,1-3H3