[(E)-[3-(cyanomethyl)thiophen-1-ylidene]amino] 4-methylbenzenesulfonate

Systemtic Name: [(E)-[3-(cyanomethyl)thiophen-1-ylidene]amino] 4-methylbenzenesulfonate Openeye Name: [(E)-[3-(cyanomethyl)-1-thienylidene]amino] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(E)-[3-(cyanomethyl)-1-thiophenylidene]amino] ester IUPAC Name: [(E)-[3-(cyanomethyl)thiophen-1-ylidene]amino] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(E)-[3-(cyanomethyl)-1-thienylidene]amino] ester Formula: C13H12N2O3S2 MolecularWeight: 308.37598

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)ON=S2C=CC(=C2)CC#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O/N=S/2\C=CC(=C2)CC#N

InChI

InChI=1S/C13H12N2O3S2/c1-11-2-4-13(5-3-11)20(16,17)18-15-19-9-7-12(10-19)6-8-14/h2-5,7,9-10H,6H2,1H3