1,5-dimethyl-4-[(E)-3-(4-methylsulfonylphenyl)-3-oxidanylidene-prop-1-enyl]pyrrole-2-carbonitrile

Systemtic Name: 1,5-dimethyl-4-[(E)-3-(4-methylsulfonylphenyl)-3-oxidanylidene-prop-1-enyl]pyrrole-2-carbonitrile Openeye Name: 1,5-dimethyl-4-[(E)-3-(4-methylsulfonylphenyl)-3-oxo-prop-1-enyl]pyrrole-2-carbonitrile CAS Name: 1,5-dimethyl-4-[(E)-3-(4-methylsulfonylphenyl)-3-oxoprop-1-enyl]-2-pyrrolecarbonitrile IUPAC Name: 1,5-dimethyl-4-[(E)-3-(4-methylsulfonylphenyl)-3-oxoprop-1-enyl]pyrrole-2-carbonitrile Traditional Name: 4-[(E)-3-keto-3-(4-mesylphenyl)prop-1-enyl]-1,5-dimethyl-pyrrole-2-carbonitrile Formula: C17H16N2O3S MolecularWeight: 328.38554

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(N1C)C#N)C=CC(=O)C2=CC=C(C=C2)S(=O)(=O)C

Isomeric SMILES

CC1=C(C=C(N1C)C#N)/C=C/C(=O)C2=CC=C(C=C2)S(=O)(=O)C

InChI

InChI=1S/C17H16N2O3S/c1-12-14(10-15(11-18)19(12)2)6-9-17(20)13-4-7-16(8-5-13)23(3,21)22/h4-10H,1-3H3/b9-6+