3-[[5-(1-azanyl-2-methyl-butyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-propan-1-one

Systemtic Name: 3-[[5-(1-azanyl-2-methyl-butyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-propan-1-one Openeye Name: 3-[[5-(1-amino-2-methyl-butyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-propan-1-one CAS Name: 3-[[5-(1-amino-2-methylbutyl)-4-ethyl-1,2,4-triazol-3-yl]thio]-1-phenyl-1-propanone IUPAC Name: 3-[[5-(1-amino-2-methylbutyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenylpropan-1-one Traditional Name: 3-[[5-(1-amino-2-methyl-butyl)-4-ethyl-1,2,4-triazol-3-yl]thio]-1-phenyl-propan-1-one Formula: C18H26N4OS MolecularWeight: 346.49024

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C1=NN=C(N1CC)SCCC(=O)C2=CC=CC=C2)N

Isomeric SMILES

CCC(C)C(C1=NN=C(N1CC)SCCC(=O)C2=CC=CC=C2)N

InChI

InChI=1S/C18H26N4OS/c1-4-13(3)16(19)17-20-21-18(22(17)5-2)24-12-11-15(23)14-9-7-6-8-10-14/h6-10,13,16H,4-5,11-12,19H2,1-3H3