(1S)-1-[4-ethyl-5-[(3-methoxyphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]-2-phenyl-ethanamine

Systemtic Name: (1S)-1-[4-ethyl-5-[(3-methoxyphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]-2-phenyl-ethanamine Openeye Name: (1S)-1-[4-ethyl-5-[(3-methoxyphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]-2-phenyl-ethanamine CAS Name: (1S)-1-[4-ethyl-5-[(3-methoxyphenyl)methylthio]-1,2,4-triazol-3-yl]-2-phenylethanamine IUPAC Name: (1S)-1-[4-ethyl-5-[(3-methoxyphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]-2-phenylethanamine Traditional Name: [(1S)-1-[4-ethyl-5-(m-anisylthio)-1,2,4-triazol-3-yl]-2-phenyl-ethyl]amine Formula: C20H24N4OS MolecularWeight: 368.49576

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=CC(=CC=C2)OC)C(CC3=CC=CC=C3)N

Isomeric SMILES

CCN1C(=NN=C1SCC2=CC(=CC=C2)OC)[C@H](CC3=CC=CC=C3)N

InChI

InChI=1S/C20H24N4OS/c1-3-24-19(18(21)13-15-8-5-4-6-9-15)22-23-20(24)26-14-16-10-7-11-17(12-16)25-2/h4-12,18H,3,13-14,21H2,1-2H3/t18-/m0/s1