2-methylsulfanyl-4-[(phenylmethyl)amino]quinoline-3-carbonitrile

Systemtic Name: 2-methylsulfanyl-4-[(phenylmethyl)amino]quinoline-3-carbonitrile Openeye Name: 4-(benzylamino)-2-methylsulfanyl-quinoline-3-carbonitrile CAS Name: 2-(methylthio)-4-[(phenylmethyl)amino]-3-quinolinecarbonitrile IUPAC Name: 4-(benzylamino)-2-methylsulfanylquinoline-3-carbonitrile Traditional Name: 4-(benzylamino)-2-(methylthio)quinoline-3-carbonitrile Formula: C18H15N3S MolecularWeight: 305.3968

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2=CC=CC=C2C(=C1C#N)NCC3=CC=CC=C3

Isomeric SMILES

CSC1=NC2=CC=CC=C2C(=C1C#N)NCC3=CC=CC=C3

InChI

InChI=1S/C18H15N3S/c1-22-18-15(11-19)17(14-9-5-6-10-16(14)21-18)20-12-13-7-3-2-4-8-13/h2-10H,12H2,1H3,(H,20,21)