(Z)-but-2-enedioic acid; 5-methyl-4-[(phenylmethylsulfanyl)methyl]-1H-imidazole

Systemtic Name: (Z)-but-2-enedioic acid; 5-methyl-4-[(phenylmethylsulfanyl)methyl]-1H-imidazole Openeye Name: 4-(benzylsulfanylmethyl)-5-methyl-1H-imidazole; maleic acid CAS Name: (Z)-2-butenedioic acid; 5-methyl-4-[(phenylmethylthio)methyl]-1H-imidazole IUPAC Name: 4-(benzylsulfanylmethyl)-5-methyl-1H-imidazole; (Z)-but-2-enedioic acid Traditional Name: 4-[(benzylthio)methyl]-5-methyl-1H-imidazole; maleic acid Formula: C16H18N2O4S MolecularWeight: 334.39012

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CN1)CSCC2=CC=CC=C2.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC1=C(N=CN1)CSCC2=CC=CC=C2.C(=C\C(=O)O)\C(=O)O

InChI

InChI=1S/C12H14N2S.C4H4O4/c1-10-12(14-9-13-10)8-15-7-11-5-3-2-4-6-11;5-3(6)1-2-4(7)8/h2-6,9H,7-8H2,1H3,(H,13,14);1-2H,(H,5,6)(H,7,8)/b;2-1-