2-[[5-(2-methylpropyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanamine

Systemtic Name: 2-[[5-(2-methylpropyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanamine Openeye Name: 2-[(5-isobutyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanamine CAS Name: 2-[[5-(2-methylpropyl)-4-phenyl-1,2,4-triazol-3-yl]thio]ethanamine IUPAC Name: 2-[[5-(2-methylpropyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanamine Traditional Name: 2-[(5-isobutyl-4-phenyl-1,2,4-triazol-3-yl)thio]ethylamine Formula: C14H20N4S MolecularWeight: 276.4004

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=NN=C(N1C2=CC=CC=C2)SCCN

Isomeric SMILES

CC(C)CC1=NN=C(N1C2=CC=CC=C2)SCCN

InChI

InChI=1S/C14H20N4S/c1-11(2)10-13-16-17-14(19-9-8-15)18(13)12-6-4-3-5-7-12/h3-7,11H,8-10,15H2,1-2H3