3-[4-[(4-methyl-2-sulfanylidene-1,3-dihydroquinazolin-4-yl)methyl]quinazolin-2-yl]sulfanylpropanenitrile

Systemtic Name: 3-[4-[(4-methyl-2-sulfanylidene-1,3-dihydroquinazolin-4-yl)methyl]quinazolin-2-yl]sulfanylpropanenitrile Openeye Name: 3-[4-[(4-methyl-2-thioxo-1,3-dihydroquinazolin-4-yl)methyl]quinazolin-2-yl]sulfanylpropanenitrile CAS Name: 3-[[4-[(4-methyl-2-sulfanylidene-1,3-dihydroquinazolin-4-yl)methyl]-2-quinazolinyl]thio]propanenitrile IUPAC Name: 3-[4-[(4-methyl-2-sulfanylidene-1,3-dihydroquinazolin-4-yl)methyl]quinazolin-2-yl]sulfanylpropanenitrile Traditional Name: 3-[[4-[(4-methyl-2-thioxo-1,3-dihydroquinazolin-4-yl)methyl]quinazolin-2-yl]thio]propionitrile Formula: C21H19N5S2 MolecularWeight: 405.53906

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=CC=CC=C2NC(=S)N1)CC3=NC(=NC4=CC=CC=C43)SCCC#N

Isomeric SMILES

CC1(C2=CC=CC=C2NC(=S)N1)CC3=NC(=NC4=CC=CC=C43)SCCC#N

InChI

InChI=1S/C21H19N5S2/c1-21(15-8-3-5-10-17(15)23-19(27)26-21)13-18-14-7-2-4-9-16(14)24-20(25-18)28-12-6-11-22/h2-5,7-10H,6,12-13H2,1H3,(H2,23,26,27)