4-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]butanenitrile

Systemtic Name: 4-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]butanenitrile Openeye Name: 4-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]butanenitrile CAS Name: 4-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)thio]butanenitrile IUPAC Name: 4-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]butanenitrile Traditional Name: 4-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)thio]butyronitrile Formula: C12H16N4S MolecularWeight: 248.34724

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN=C(N2C3CC3)SCCCC#N

Isomeric SMILES

C1CC1C2=NN=C(N2C3CC3)SCCCC#N

InChI

InChI=1S/C12H16N4S/c13-7-1-2-8-17-12-15-14-11(9-3-4-9)16(12)10-5-6-10/h9-10H,1-6,8H2