2-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)sulfanyl]-1-(3-nitrophenyl)ethanone

Systemtic Name: 2-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)sulfanyl]-1-(3-nitrophenyl)ethanone Openeye Name: 2-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)sulfanyl]-1-(3-nitrophenyl)ethanone CAS Name: 2-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)thio]-1-(3-nitrophenyl)ethanone IUPAC Name: 2-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)sulfanyl]-1-(3-nitrophenyl)ethanone Traditional Name: 2-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)thio]-1-(3-nitrophenyl)ethanone Formula: C17H17N3O3S MolecularWeight: 343.40018

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC2=C1CCCC2)SCC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=NC(=NC2=C1CCCC2)SCC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H17N3O3S/c1-11-14-7-2-3-8-15(14)19-17(18-11)24-10-16(21)12-5-4-6-13(9-12)20(22)23/h4-6,9H,2-3,7-8,10H2,1H3