5-azanylidene-2-[[1-(2,6-dimethylphenyl)-2,5-dimethyl-pyrrol-3-yl]methylidene]-4-(1,3-thiazol-2-yl)thiolan-3-one

Systemtic Name: 5-azanylidene-2-[[1-(2,6-dimethylphenyl)-2,5-dimethyl-pyrrol-3-yl]methylidene]-4-(1,3-thiazol-2-yl)thiolan-3-one Openeye Name: 2-[[1-(2,6-dimethylphenyl)-2,5-dimethyl-pyrrol-3-yl]methylene]-5-imino-4-thiazol-2-yl-tetrahydrothiophen-3-one CAS Name: 2-[[1-(2,6-dimethylphenyl)-2,5-dimethyl-3-pyrrolyl]methylidene]-5-imino-4-(2-thiazolyl)-3-thiolanone IUPAC Name: 2-[[1-(2,6-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-5-imino-4-(1,3-thiazol-2-yl)thiolan-3-one Traditional Name: 2-[[1-(2,6-dimethylphenyl)-2,5-dimethyl-pyrrol-3-yl]methylene]-5-imino-4-thiazol-2-yl-tetrahydrothiophen-3-one Formula: C22H21N3OS2 MolecularWeight: 407.55164

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)N2C(=CC(=C2C)C=C3C(=O)C(C(=N)S3)C4=NC=CS4)C

Isomeric SMILES

CC1=C(C(=CC=C1)C)N2C(=CC(=C2C)C=C3C(=O)C(C(=N)S3)C4=NC=CS4)C

InChI

InChI=1S/C22H21N3OS2/c1-12-6-5-7-13(2)19(12)25-14(3)10-16(15(25)4)11-17-20(26)18(21(23)28-17)22-24-8-9-27-22/h5-11,18,23H,1-4H3