2-[4-[(3-propylsulfanyl-1,2,4-benzothiadiazin-4-yl)methyl]phenyl]benzenecarbonitrile

Systemtic Name: 2-[4-[(3-propylsulfanyl-1,2,4-benzothiadiazin-4-yl)methyl]phenyl]benzenecarbonitrile Openeye Name: 2-[4-[(3-propylsulfanyl-1,2,4-benzothiadiazin-4-yl)methyl]phenyl]benzonitrile CAS Name: 2-[4-[[3-(propylthio)-1,2,4-benzothiadiazin-4-yl]methyl]phenyl]benzonitrile IUPAC Name: 2-[4-[(3-propylsulfanyl-1,2,4-benzothiadiazin-4-yl)methyl]phenyl]benzonitrile Traditional Name: 2-[4-[[3-(propylthio)-1,2,4-benzothiadiazin-4-yl]methyl]phenyl]benzonitrile Formula: C24H21N3S2 MolecularWeight: 415.57364

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NSC2=CC=CC=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C#N

Isomeric SMILES

CCCSC1=NSC2=CC=CC=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C#N

InChI

InChI=1S/C24H21N3S2/c1-2-15-28-24-26-29-23-10-6-5-9-22(23)27(24)17-18-11-13-19(14-12-18)21-8-4-3-7-20(21)16-25/h3-14H,2,15,17H2,1H3