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

Systemtic Name: 4-[2-[(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethoxy]benzenecarbonitrile Openeye Name: 4-[2-[(4-allyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]ethoxy]benzonitrile CAS Name: 4-[2-[(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]ethoxy]benzonitrile IUPAC Name: 4-[2-[(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethoxy]benzonitrile Traditional Name: 4-[2-[(4-allyl-5-cyclopropyl-1,2,4-triazol-3-yl)thio]ethoxy]benzonitrile Formula: C17H18N4OS MolecularWeight: 326.41602

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCCOC2=CC=C(C=C2)C#N)C3CC3

Isomeric SMILES

C=CCN1C(=NN=C1SCCOC2=CC=C(C=C2)C#N)C3CC3

InChI

InChI=1S/C17H18N4OS/c1-2-9-21-16(14-5-6-14)19-20-17(21)23-11-10-22-15-7-3-13(12-18)4-8-15/h2-4,7-8,14H,1,5-6,9-11H2