2-[[3-(benzotriazol-2-yl)-4-ethoxy-phenyl]methylsulfanyl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile

Systemtic Name: 2-[[3-(benzotriazol-2-yl)-4-ethoxy-phenyl]methylsulfanyl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile Openeye Name: 2-[[3-(benzotriazol-2-yl)-4-ethoxy-phenyl]methylsulfanyl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile CAS Name: 2-[[3-(2-benzotriazolyl)-4-ethoxyphenyl]methylthio]-5,6,7,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 2-[[3-(benzotriazol-2-yl)-4-ethoxyphenyl]methylsulfanyl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile Traditional Name: 2-[[3-(benzotriazol-2-yl)-4-ethoxy-benzyl]thio]-5,6,7,8-tetrahydroquinoline-3-carbonitrile Formula: C25H23N5OS MolecularWeight: 441.54802

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CSC2=NC3=C(CCCC3)C=C2C#N)N4N=C5C=CC=CC5=N4

Isomeric SMILES

CCOC1=C(C=C(C=C1)CSC2=NC3=C(CCCC3)C=C2C#N)N4N=C5C=CC=CC5=N4

InChI

InChI=1S/C25H23N5OS/c1-2-31-24-12-11-17(13-23(24)30-28-21-9-5-6-10-22(21)29-30)16-32-25-19(15-26)14-18-7-3-4-8-20(18)27-25/h5-6,9-14H,2-4,7-8,16H2,1H3