(2R)-3-(4-methylphenyl)-2-[(4-sulfanylidene-1H-quinazolin-2-yl)sulfanyl]propanenitrile

Systemtic Name: (2R)-3-(4-methylphenyl)-2-[(4-sulfanylidene-1H-quinazolin-2-yl)sulfanyl]propanenitrile Openeye Name: (2R)-3-(p-tolyl)-2-[(4-thioxo-1H-quinazolin-2-yl)sulfanyl]propanenitrile CAS Name: (2R)-3-(4-methylphenyl)-2-[(4-sulfanylidene-1H-quinazolin-2-yl)thio]propanenitrile IUPAC Name: (2R)-3-(4-methylphenyl)-2-[(4-sulfanylidene-1H-quinazolin-2-yl)sulfanyl]propanenitrile Traditional Name: (2R)-3-(p-tolyl)-2-[(4-thioxo-1H-quinazolin-2-yl)thio]propionitrile Formula: C18H15N3S2 MolecularWeight: 337.4618

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CC(C#N)SC2=NC(=S)C3=CC=CC=C3N2

Isomeric SMILES

CC1=CC=C(C=C1)C[C@H](C#N)SC2=NC(=S)C3=CC=CC=C3N2

InChI

InChI=1S/C18H15N3S2/c1-12-6-8-13(9-7-12)10-14(11-19)23-18-20-16-5-3-2-4-15(16)17(22)21-18/h2-9,14H,10H2,1H3,(H,20,21,22)/t14-/m1/s1