2-[[4-azanyl-5-[(5-methyl-2-propan-2-yl-phenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]ethanenitrile

Systemtic Name: 2-[[4-azanyl-5-[(5-methyl-2-propan-2-yl-phenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]ethanenitrile Openeye Name: 2-[[4-amino-5-[(2-isopropyl-5-methyl-phenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetonitrile CAS Name: 2-[[4-amino-5-[(5-methyl-2-propan-2-ylphenoxy)methyl]-1,2,4-triazol-3-yl]thio]acetonitrile IUPAC Name: 2-[[4-amino-5-[(5-methyl-2-propan-2-ylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetonitrile Traditional Name: 2-[[4-amino-5-[(2-isopropyl-5-methyl-phenoxy)methyl]-1,2,4-triazol-3-yl]thio]acetonitrile Formula: C15H19N5OS MolecularWeight: 317.40926

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C)C)OCC2=NN=C(N2N)SCC#N

Isomeric SMILES

CC1=CC(=C(C=C1)C(C)C)OCC2=NN=C(N2N)SCC#N

InChI

InChI=1S/C15H19N5OS/c1-10(2)12-5-4-11(3)8-13(12)21-9-14-18-19-15(20(14)17)22-7-6-16/h4-5,8,10H,7,9,17H2,1-3H3