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

Systemtic Name: 4-[2-[(4-azanyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]ethoxy]benzenecarbonitrile Openeye Name: 4-[2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]ethoxy]benzonitrile CAS Name: 4-[2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)thio]ethoxy]benzonitrile IUPAC Name: 4-[2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]ethoxy]benzonitrile Traditional Name: 4-[2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)thio]ethoxy]benzonitrile Formula: C14H15N5OS MolecularWeight: 301.3668

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN=C(N2N)SCCOC3=CC=C(C=C3)C#N

Isomeric SMILES

C1CC1C2=NN=C(N2N)SCCOC3=CC=C(C=C3)C#N

InChI

InChI=1S/C14H15N5OS/c15-9-10-1-5-12(6-2-10)20-7-8-21-14-18-17-13(19(14)16)11-3-4-11/h1-2,5-6,11H,3-4,7-8,16H2