N-(3-chloranyl-4-cyano-phenyl)-2-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]propanamide

Systemtic Name: N-(3-chloranyl-4-cyano-phenyl)-2-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]propanamide Openeye Name: N-(3-chloro-4-cyano-phenyl)-2-(1-methyltetrazol-5-yl)sulfanyl-propanamide CAS Name: N-(3-chloro-4-cyanophenyl)-2-[(1-methyl-5-tetrazolyl)thio]propanamide IUPAC Name: N-(3-chloro-4-cyanophenyl)-2-(1-methyltetrazol-5-yl)sulfanylpropanamide Traditional Name: N-(3-chloro-4-cyano-phenyl)-2-[(1-methyltetrazol-5-yl)thio]propionamide Formula: C12H11ClN6OS MolecularWeight: 322.77334

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=C(C=C1)C#N)Cl)SC2=NN=NN2C

Isomeric SMILES

CC(C(=O)NC1=CC(=C(C=C1)C#N)Cl)SC2=NN=NN2C

InChI

InChI=1S/C12H11ClN6OS/c1-7(21-12-16-17-18-19(12)2)11(20)15-9-4-3-8(6-14)10(13)5-9/h3-5,7H,1-2H3,(H,15,20)