2-(1-methylbenzimidazol-2-yl)sulfanylethyl 4-methylbenzenesulfonate

Systemtic Name: 2-(1-methylbenzimidazol-2-yl)sulfanylethyl 4-methylbenzenesulfonate Openeye Name: 2-(1-methylbenzimidazol-2-yl)sulfanylethyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 2-[(1-methyl-2-benzimidazolyl)thio]ethyl ester IUPAC Name: 2-(1-methylbenzimidazol-2-yl)sulfanylethyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 2-[(1-methylbenzimidazol-2-yl)thio]ethyl ester Formula: C17H18N2O3S2 MolecularWeight: 362.46642

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCSC2=NC3=CC=CC=C3N2C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCSC2=NC3=CC=CC=C3N2C

InChI

InChI=1S/C17H18N2O3S2/c1-13-7-9-14(10-8-13)24(20,21)22-11-12-23-17-18-15-5-3-4-6-16(15)19(17)2/h3-10H,11-12H2,1-2H3