methanesulfonic acid; 3-[5-(2-methylimidazol-1-yl)-2-(pyrazin-2-ylamino)-1,3-thiazol-4-yl]benzenecarbonitrile

Systemtic Name: methanesulfonic acid; 3-[5-(2-methylimidazol-1-yl)-2-(pyrazin-2-ylamino)-1,3-thiazol-4-yl]benzenecarbonitrile Openeye Name: methanesulfonic acid; 3-[5-(2-methylimidazol-1-yl)-2-(pyrazin-2-ylamino)thiazol-4-yl]benzonitrile CAS Name: methanesulfonic acid; 3-[5-(2-methyl-1-imidazolyl)-2-(2-pyrazinylamino)-4-thiazolyl]benzonitrile IUPAC Name: methanesulfonic acid; 3-[5-(2-methylimidazol-1-yl)-2-(pyrazin-2-ylamino)-1,3-thiazol-4-yl]benzonitrile Traditional Name: mesylic acid; 3-[5-(2-methylimidazol-1-yl)-2-(pyrazin-2-ylamino)thiazol-4-yl]benzonitrile Formula: C19H17N7O3S2 MolecularWeight: 455.51338

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=CN1C2=C(N=C(S2)NC3=NC=CN=C3)C4=CC=CC(=C4)C#N.CS(=O)(=O)O

Isomeric SMILES

CC1=NC=CN1C2=C(N=C(S2)NC3=NC=CN=C3)C4=CC=CC(=C4)C#N.CS(=O)(=O)O

InChI

InChI=1S/C18H13N7S.CH4O3S/c1-12-21-7-8-25(12)17-16(14-4-2-3-13(9-14)10-19)24-18(26-17)23-15-11-20-5-6-22-15;1-5(2,3)4/h2-9,11H,1H3,(H,22,23,24);1H3,(H,2,3,4)