2-[[5-(4-methoxyphenyl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]sulfanyl]ethanenitrile

Systemtic Name: 2-[[5-(4-methoxyphenyl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]sulfanyl]ethanenitrile Openeye Name: 2-[[4-isobutyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetonitrile CAS Name: 2-[[5-(4-methoxyphenyl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]thio]acetonitrile IUPAC Name: 2-[[5-(4-methoxyphenyl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]sulfanyl]acetonitrile Traditional Name: 2-[[4-isobutyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]acetonitrile Formula: C15H18N4OS MolecularWeight: 302.39462

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=NN=C1SCC#N)C2=CC=C(C=C2)OC

Isomeric SMILES

CC(C)CN1C(=NN=C1SCC#N)C2=CC=C(C=C2)OC

InChI

InChI=1S/C15H18N4OS/c1-11(2)10-19-14(17-18-15(19)21-9-8-16)12-4-6-13(20-3)7-5-12/h4-7,11H,9-10H2,1-3H3