4-chloranyl-2-[(phenylmethyl)amino]-1,3-thiazole-5-carbonitrile

Systemtic Name: 4-chloranyl-2-[(phenylmethyl)amino]-1,3-thiazole-5-carbonitrile Openeye Name: 2-(benzylamino)-4-chloro-thiazole-5-carbonitrile CAS Name: 4-chloro-2-[(phenylmethyl)amino]-5-thiazolecarbonitrile IUPAC Name: 2-(benzylamino)-4-chloro-1,3-thiazole-5-carbonitrile Traditional Name: 2-(benzylamino)-4-chloro-thiazole-5-carbonitrile Formula: C11H8ClN3S MolecularWeight: 249.71932

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=NC(=C(S2)C#N)Cl

Isomeric SMILES

C1=CC=C(C=C1)CNC2=NC(=C(S2)C#N)Cl

InChI

InChI=1S/C11H8ClN3S/c12-10-9(6-13)16-11(15-10)14-7-8-4-2-1-3-5-8/h1-5H,7H2,(H,14,15)