2-azanyl-4-[2,6-bis(chloranyl)phenyl]sulfanyl-3-pyrimidin-2-yl-benzenecarbonitrile

Systemtic Name: 2-azanyl-4-[2,6-bis(chloranyl)phenyl]sulfanyl-3-pyrimidin-2-yl-benzenecarbonitrile Openeye Name: 2-amino-4-(2,6-dichlorophenyl)sulfanyl-3-pyrimidin-2-yl-benzonitrile CAS Name: 2-amino-4-[(2,6-dichlorophenyl)thio]-3-(2-pyrimidinyl)benzonitrile IUPAC Name: 2-amino-4-(2,6-dichlorophenyl)sulfanyl-3-pyrimidin-2-ylbenzonitrile Traditional Name: 2-amino-4-[(2,6-dichlorophenyl)thio]-3-(2-pyrimidyl)benzonitrile Formula: C17H10Cl2N4S MolecularWeight: 373.2591

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)Cl)SC2=C(C(=C(C=C2)C#N)N)C3=NC=CC=N3)Cl

Isomeric SMILES

C1=CC(=C(C(=C1)Cl)SC2=C(C(=C(C=C2)C#N)N)C3=NC=CC=N3)Cl

InChI

InChI=1S/C17H10Cl2N4S/c18-11-3-1-4-12(19)16(11)24-13-6-5-10(9-20)15(21)14(13)17-22-7-2-8-23-17/h1-8H,21H2