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

Systemtic Name: 3-[[5-(aminomethyl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-propan-1-one Openeye Name: 3-[[5-(aminomethyl)-4-isobutyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-propan-1-one CAS Name: 3-[[5-(aminomethyl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]thio]-1-phenyl-1-propanone IUPAC Name: 3-[[5-(aminomethyl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenylpropan-1-one Traditional Name: 3-[[5-(aminomethyl)-4-isobutyl-1,2,4-triazol-3-yl]thio]-1-phenyl-propan-1-one Formula: C16H22N4OS MolecularWeight: 318.43708

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=NN=C1SCCC(=O)C2=CC=CC=C2)CN

Isomeric SMILES

CC(C)CN1C(=NN=C1SCCC(=O)C2=CC=CC=C2)CN

InChI

InChI=1S/C16H22N4OS/c1-12(2)11-20-15(10-17)18-19-16(20)22-9-8-14(21)13-6-4-3-5-7-13/h3-7,12H,8-11,17H2,1-2H3