N1-[(2S)-4-methylpentan-2-yl]-N4-phenyl-2-pyrazin-2-ylsulfanyl-benzene-1,4-diamine

Systemtic Name: N1-[(2S)-4-methylpentan-2-yl]-N4-phenyl-2-pyrazin-2-ylsulfanyl-benzene-1,4-diamine Openeye Name: N1-[(1S)-1,3-dimethylbutyl]-N4-phenyl-2-pyrazin-2-ylsulfanyl-benzene-1,4-diamine CAS Name: N1-[(2S)-4-methylpentan-2-yl]-N4-phenyl-2-(2-pyrazinylthio)benzene-1,4-diamine IUPAC Name: 1-N-[(2S)-4-methylpentan-2-yl]-4-N-phenyl-2-pyrazin-2-ylsulfanylbenzene-1,4-diamine Traditional Name: [4-anilino-2-(pyrazin-2-ylthio)phenyl]-[(1S)-1,3-dimethylbutyl]amine Formula: C22H26N4S MolecularWeight: 378.53364

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C)NC1=C(C=C(C=C1)NC2=CC=CC=C2)SC3=NC=CN=C3

Isomeric SMILES

C[C@@H](CC(C)C)NC1=C(C=C(C=C1)NC2=CC=CC=C2)SC3=NC=CN=C3

InChI

InChI=1S/C22H26N4S/c1-16(2)13-17(3)25-20-10-9-19(26-18-7-5-4-6-8-18)14-21(20)27-22-15-23-11-12-24-22/h4-12,14-17,25-26H,13H2,1-3H3/t17-/m0/s1