5-(3,4-dichlorophenyl)-3-(phenylmethylsulfanyl)-1,2-oxazole-4-carbonitrile

Systemtic Name: 5-(3,4-dichlorophenyl)-3-(phenylmethylsulfanyl)-1,2-oxazole-4-carbonitrile Openeye Name: 3-benzylsulfanyl-5-(3,4-dichlorophenyl)isoxazole-4-carbonitrile CAS Name: 5-(3,4-dichlorophenyl)-3-(phenylmethylthio)-4-isoxazolecarbonitrile IUPAC Name: 3-benzylsulfanyl-5-(3,4-dichlorophenyl)-1,2-oxazole-4-carbonitrile Traditional Name: 3-(benzylthio)-5-(3,4-dichlorophenyl)isoxazole-4-carbonitrile Formula: C17H10Cl2N2OS MolecularWeight: 361.2451

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NOC(=C2C#N)C3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NOC(=C2C#N)C3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C17H10Cl2N2OS/c18-14-7-6-12(8-15(14)19)16-13(9-20)17(21-22-16)23-10-11-4-2-1-3-5-11/h1-8H,10H2