4-[[4-[2,6-bis(chloranyl)phenyl]sulfanylpyrimidin-2-yl]amino]benzenecarbonitrile

Systemtic Name: 4-[[4-[2,6-bis(chloranyl)phenyl]sulfanylpyrimidin-2-yl]amino]benzenecarbonitrile Openeye Name: 4-[[4-(2,6-dichlorophenyl)sulfanylpyrimidin-2-yl]amino]benzonitrile CAS Name: 4-[[4-[(2,6-dichlorophenyl)thio]-2-pyrimidinyl]amino]benzonitrile IUPAC Name: 4-[[4-(2,6-dichlorophenyl)sulfanylpyrimidin-2-yl]amino]benzonitrile Traditional Name: 4-[[4-[(2,6-dichlorophenyl)thio]pyrimidin-2-yl]amino]benzonitrile Formula: C17H10Cl2N4S MolecularWeight: 373.2591

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)Cl)SC2=NC(=NC=C2)NC3=CC=C(C=C3)C#N)Cl

Isomeric SMILES

C1=CC(=C(C(=C1)Cl)SC2=NC(=NC=C2)NC3=CC=C(C=C3)C#N)Cl

InChI

InChI=1S/C17H10Cl2N4S/c18-13-2-1-3-14(19)16(13)24-15-8-9-21-17(23-15)22-12-6-4-11(10-20)5-7-12/h1-9H,(H,21,22,23)