2-[(4-methylphenyl)amino]-5-[(1-prop-2-ynylindol-3-yl)methylidene]-1,3-thiazol-4-one

Systemtic Name: 2-[(4-methylphenyl)amino]-5-[(1-prop-2-ynylindol-3-yl)methylidene]-1,3-thiazol-4-one Openeye Name: 2-(4-methylanilino)-5-[(1-prop-2-ynylindol-3-yl)methylene]thiazol-4-one CAS Name: 2-(4-methylanilino)-5-[(1-prop-2-ynyl-3-indolyl)methylidene]-4-thiazolone IUPAC Name: 2-(4-methylanilino)-5-[(1-prop-2-ynylindol-3-yl)methylidene]-1,3-thiazol-4-one Traditional Name: 5-[(1-propargylindol-3-yl)methylene]-2-(p-toluidino)-2-thiazolin-4-one Formula: C22H17N3OS MolecularWeight: 371.45488

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=NC(=O)C(=CC3=CN(C4=CC=CC=C43)CC#C)S2

Isomeric SMILES

CC1=CC=C(C=C1)NC2=NC(=O)C(=CC3=CN(C4=CC=CC=C43)CC#C)S2

InChI

InChI=1S/C22H17N3OS/c1-3-12-25-14-16(18-6-4-5-7-19(18)25)13-20-21(26)24-22(27-20)23-17-10-8-15(2)9-11-17/h1,4-11,13-14H,12H2,2H3,(H,23,24,26)