4-[2-[4-[(2S)-butan-2-yl]phenyl]-2-oxidanylidene-ethyl]-1,2,4-triazole-3-carbonitrile

Systemtic Name: 4-[2-[4-[(2S)-butan-2-yl]phenyl]-2-oxidanylidene-ethyl]-1,2,4-triazole-3-carbonitrile Openeye Name: 4-[2-[4-[(1S)-1-methylpropyl]phenyl]-2-oxo-ethyl]-1,2,4-triazole-3-carbonitrile CAS Name: 4-[2-[4-[(2S)-butan-2-yl]phenyl]-2-oxoethyl]-1,2,4-triazole-3-carbonitrile IUPAC Name: 4-[2-[4-[(2S)-butan-2-yl]phenyl]-2-oxoethyl]-1,2,4-triazole-3-carbonitrile Traditional Name: 4-[2-keto-2-[4-[(1S)-1-methylpropyl]phenyl]ethyl]-1,2,4-triazole-3-carbonitrile Formula: C15H16N4O MolecularWeight: 268.31374

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)C(=O)CN2C=NN=C2C#N

Isomeric SMILES

CC[C@H](C)C1=CC=C(C=C1)C(=O)CN2C=NN=C2C#N

InChI

InChI=1S/C15H16N4O/c1-3-11(2)12-4-6-13(7-5-12)14(20)9-19-10-17-18-15(19)8-16/h4-7,10-11H,3,9H2,1-2H3/t11-/m0/s1