4-(1-methylbenzimidazol-2-yl)sulfanylbut-2-ynyl 4-methylbenzoate

Systemtic Name: 4-(1-methylbenzimidazol-2-yl)sulfanylbut-2-ynyl 4-methylbenzoate Openeye Name: 4-(1-methylbenzimidazol-2-yl)sulfanylbut-2-ynyl 4-methylbenzoate CAS Name: 4-methylbenzoic acid 4-[(1-methyl-2-benzimidazolyl)thio]but-2-ynyl ester IUPAC Name: 4-(1-methylbenzimidazol-2-yl)sulfanylbut-2-ynyl 4-methylbenzoate Traditional Name: 4-methylbenzoic acid 4-[(1-methylbenzimidazol-2-yl)thio]but-2-ynyl ester Formula: C20H18N2O2S MolecularWeight: 350.43412

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OCC#CCSC2=NC3=CC=CC=C3N2C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)OCC#CCSC2=NC3=CC=CC=C3N2C

InChI

InChI=1S/C20H18N2O2S/c1-15-9-11-16(12-10-15)19(23)24-13-5-6-14-25-20-21-17-7-3-4-8-18(17)22(20)2/h3-4,7-12H,13-14H2,1-2H3