5-methyl-2-[2-methyl-1-(phenylsulfonyl)pyrrol-3-yl]-1,3-thiazole hydrate

Systemtic Name: 5-methyl-2-[2-methyl-1-(phenylsulfonyl)pyrrol-3-yl]-1,3-thiazole hydrate Openeye Name: 2-[1-(benzenesulfonyl)-2-methyl-pyrrol-3-yl]-5-methyl-thiazole hydrate CAS Name: 2-[1-(benzenesulfonyl)-2-methyl-3-pyrrolyl]-5-methylthiazole hydrate IUPAC Name: 2-[1-(benzenesulfonyl)-2-methylpyrrol-3-yl]-5-methyl-1,3-thiazole hydrate Traditional Name: 2-(1-besyl-2-methyl-pyrrol-3-yl)-5-methyl-thiazole hydrate Formula: C15H16N2O3S2 MolecularWeight: 336.42914

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(S1)C2=C(N(C=C2)S(=O)(=O)C3=CC=CC=C3)C.O

Isomeric SMILES

CC1=CN=C(S1)C2=C(N(C=C2)S(=O)(=O)C3=CC=CC=C3)C.O

InChI

InChI=1S/C15H14N2O2S2.H2O/c1-11-10-16-15(20-11)14-8-9-17(12(14)2)21(18,19)13-6-4-3-5-7-13;/h3-10H,1-2H3;1H2