4-[2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethoxy]benzenecarbonitrile

Systemtic Name: 4-[2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethoxy]benzenecarbonitrile Openeye Name: 4-[2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethoxy]benzonitrile CAS Name: 4-[2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)thio]ethoxy]benzonitrile IUPAC Name: 4-[2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethoxy]benzonitrile Traditional Name: 4-[2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)thio]ethoxy]benzonitrile Formula: C20H18N4OS MolecularWeight: 362.44812

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN=C(N2C3=CC=CC=C3)SCCOC4=CC=C(C=C4)C#N

Isomeric SMILES

C1CC1C2=NN=C(N2C3=CC=CC=C3)SCCOC4=CC=C(C=C4)C#N

InChI

InChI=1S/C20H18N4OS/c21-14-15-6-10-18(11-7-15)25-12-13-26-20-23-22-19(16-8-9-16)24(20)17-4-2-1-3-5-17/h1-7,10-11,16H,8-9,12-13H2