2-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)sulfanylmethyl]isoindole-1,3-dione

Systemtic Name: 2-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)sulfanylmethyl]isoindole-1,3-dione Openeye Name: 2-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)sulfanylmethyl]isoindoline-1,3-dione CAS Name: 2-[[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)thio]methyl]isoindole-1,3-dione IUPAC Name: 2-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)sulfanylmethyl]isoindole-1,3-dione Traditional Name: 2-[[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)thio]methyl]isoindoline-1,3-quinone Formula: C18H17N3O2S MolecularWeight: 339.41148

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC2=C1CCCC2)SCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CC1=NC(=NC2=C1CCCC2)SCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C18H17N3O2S/c1-11-12-6-4-5-9-15(12)20-18(19-11)24-10-21-16(22)13-7-2-3-8-14(13)17(21)23/h2-3,7-8H,4-6,9-10H2,1H3