4-azanyl-2-(4-chlorophenyl)-2H-pyrimido[2,1-b][1,3]benzothiazole-3-carbonitrile

Systemtic Name: 4-azanyl-2-(4-chlorophenyl)-2H-pyrimido[2,1-b][1,3]benzothiazole-3-carbonitrile Openeye Name: 4-amino-2-(4-chlorophenyl)-2H-pyrimido[2,1-b][1,3]benzothiazole-3-carbonitrile CAS Name: 4-amino-2-(4-chlorophenyl)-2H-pyrimido[2,1-b][1,3]benzothiazole-3-carbonitrile IUPAC Name: 4-amino-2-(4-chlorophenyl)-2H-pyrimido[2,1-b][1,3]benzothiazole-3-carbonitrile Traditional Name: 4-amino-2-(4-chlorophenyl)-2H-pyrimido[2,1-b][1,3]benzothiazole-3-carbonitrile Formula: C17H11ClN4S MolecularWeight: 338.81404

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N3C(=C(C(N=C3S2)C4=CC=C(C=C4)Cl)C#N)N

Isomeric SMILES

C1=CC=C2C(=C1)N3C(=C(C(N=C3S2)C4=CC=C(C=C4)Cl)C#N)N

InChI

InChI=1S/C17H11ClN4S/c18-11-7-5-10(6-8-11)15-12(9-19)16(20)22-13-3-1-2-4-14(13)23-17(22)21-15/h1-8,15H,20H2