2-(6-chloranyl-1,3-benzothiazol-2-yl)-2-(5-methylbenzotriazol-1-yl)ethanenitrile

Systemtic Name: 2-(6-chloranyl-1,3-benzothiazol-2-yl)-2-(5-methylbenzotriazol-1-yl)ethanenitrile Openeye Name: 2-(6-chloro-1,3-benzothiazol-2-yl)-2-(5-methylbenzotriazol-1-yl)acetonitrile CAS Name: 2-(6-chloro-1,3-benzothiazol-2-yl)-2-(5-methyl-1-benzotriazolyl)acetonitrile IUPAC Name: 2-(6-chloro-1,3-benzothiazol-2-yl)-2-(5-methylbenzotriazol-1-yl)acetonitrile Traditional Name: 2-(6-chloro-1,3-benzothiazol-2-yl)-2-(5-methylbenzotriazol-1-yl)acetonitrile Formula: C16H10ClN5S MolecularWeight: 339.8021

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(N=N2)C(C#N)C3=NC4=C(S3)C=C(C=C4)Cl

Isomeric SMILES

CC1=CC2=C(C=C1)N(N=N2)C(C#N)C3=NC4=C(S3)C=C(C=C4)Cl

InChI

InChI=1S/C16H10ClN5S/c1-9-2-5-13-12(6-9)20-21-22(13)14(8-18)16-19-11-4-3-10(17)7-15(11)23-16/h2-7,14H,1H3