3-[[4-(4-chlorophenyl)-5,6,7,8-tetrahydroquinazolin-2-yl]sulfanyl]propanenitrile

Systemtic Name: 3-[[4-(4-chlorophenyl)-5,6,7,8-tetrahydroquinazolin-2-yl]sulfanyl]propanenitrile Openeye Name: 3-[[4-(4-chlorophenyl)-5,6,7,8-tetrahydroquinazolin-2-yl]sulfanyl]propanenitrile CAS Name: 3-[[4-(4-chlorophenyl)-5,6,7,8-tetrahydroquinazolin-2-yl]thio]propanenitrile IUPAC Name: 3-[[4-(4-chlorophenyl)-5,6,7,8-tetrahydroquinazolin-2-yl]sulfanyl]propanenitrile Traditional Name: 3-[[4-(4-chlorophenyl)-5,6,7,8-tetrahydroquinazolin-2-yl]thio]propionitrile Formula: C17H16ClN3S MolecularWeight: 329.84704

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=NC(=NC(=C2C1)C3=CC=C(C=C3)Cl)SCCC#N

Isomeric SMILES

C1CCC2=NC(=NC(=C2C1)C3=CC=C(C=C3)Cl)SCCC#N

InChI

InChI=1S/C17H16ClN3S/c18-13-8-6-12(7-9-13)16-14-4-1-2-5-15(14)20-17(21-16)22-11-3-10-19/h6-9H,1-5,11H2