(1S)-1-[5-[(4-tert-butylphenyl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]-3-methyl-butan-1-amine

Systemtic Name: (1S)-1-[5-[(4-tert-butylphenyl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]-3-methyl-butan-1-amine Openeye Name: (1S)-1-[5-[(4-tert-butylphenyl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]-3-methyl-butan-1-amine CAS Name: (1S)-1-[5-[(4-tert-butylphenyl)methylthio]-4-ethyl-1,2,4-triazol-3-yl]-3-methyl-1-butanamine IUPAC Name: (1S)-1-[5-[(4-tert-butylphenyl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]-3-methylbutan-1-amine Traditional Name: [(1S)-1-[5-[(4-tert-butylbenzyl)thio]-4-ethyl-1,2,4-triazol-3-yl]-3-methyl-butyl]amine Formula: C20H32N4S MolecularWeight: 360.55988

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=CC=C(C=C2)C(C)(C)C)C(CC(C)C)N

Isomeric SMILES

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

InChI

InChI=1S/C20H32N4S/c1-7-24-18(17(21)12-14(2)3)22-23-19(24)25-13-15-8-10-16(11-9-15)20(4,5)6/h8-11,14,17H,7,12-13,21H2,1-6H3/t17-/m0/s1