(2S)-2-[[5-(4-cyclohexylphenyl)-1,2,4-triazin-3-yl]amino]-4-methylsulfanyl-butan-1-ol

Systemtic Name: (2S)-2-[[5-(4-cyclohexylphenyl)-1,2,4-triazin-3-yl]amino]-4-methylsulfanyl-butan-1-ol Openeye Name: (2S)-2-[[5-(4-cyclohexylphenyl)-1,2,4-triazin-3-yl]amino]-4-methylsulfanyl-butan-1-ol CAS Name: (2S)-2-[[5-(4-cyclohexylphenyl)-1,2,4-triazin-3-yl]amino]-4-(methylthio)-1-butanol IUPAC Name: (2S)-2-[[5-(4-cyclohexylphenyl)-1,2,4-triazin-3-yl]amino]-4-methylsulfanylbutan-1-ol Traditional Name: (2S)-2-[[5-(4-cyclohexylphenyl)-1,2,4-triazin-3-yl]amino]-4-(methylthio)butan-1-ol Formula: C20H28N4OS MolecularWeight: 372.52752

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(CO)NC1=NC(=CN=N1)C2=CC=C(C=C2)C3CCCCC3

Isomeric SMILES

CSCC[C@@H](CO)NC1=NC(=CN=N1)C2=CC=C(C=C2)C3CCCCC3

InChI

InChI=1S/C20H28N4OS/c1-26-12-11-18(14-25)22-20-23-19(13-21-24-20)17-9-7-16(8-10-17)15-5-3-2-4-6-15/h7-10,13,15,18,25H,2-6,11-12,14H2,1H3,(H,22,23,24)/t18-/m0/s1