4-azanyl-5-[(5-chloranyl-1-benzofuran-2-yl)carbonyl]-2-[(3-methylphenyl)amino]thiophene-3-carbonitrile

Systemtic Name: 4-azanyl-5-[(5-chloranyl-1-benzofuran-2-yl)carbonyl]-2-[(3-methylphenyl)amino]thiophene-3-carbonitrile Openeye Name: 4-amino-5-(5-chlorobenzofuran-2-carbonyl)-2-(3-methylanilino)thiophene-3-carbonitrile CAS Name: 4-amino-5-[(5-chloro-2-benzofuranyl)-oxomethyl]-2-(3-methylanilino)-3-thiophenecarbonitrile IUPAC Name: 4-amino-5-(5-chloro-1-benzofuran-2-carbonyl)-2-(3-methylanilino)thiophene-3-carbonitrile Traditional Name: 4-amino-5-(5-chlorobenzofuran-2-carbonyl)-2-(m-toluidino)thiophene-3-carbonitrile Formula: C21H14ClN3O2S MolecularWeight: 407.87276

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC2=C(C(=C(S2)C(=O)C3=CC4=C(O3)C=CC(=C4)Cl)N)C#N

Isomeric SMILES

CC1=CC(=CC=C1)NC2=C(C(=C(S2)C(=O)C3=CC4=C(O3)C=CC(=C4)Cl)N)C#N

InChI

InChI=1S/C21H14ClN3O2S/c1-11-3-2-4-14(7-11)25-21-15(10-23)18(24)20(28-21)19(26)17-9-12-8-13(22)5-6-16(12)27-17/h2-9,25H,24H2,1H3