2-tert-butylsulfonyl-4-(4-chlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)butanenitrile

Systemtic Name: 2-tert-butylsulfonyl-4-(4-chlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)butanenitrile Openeye Name: 2-tert-butylsulfonyl-4-(4-chlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)butanenitrile CAS Name: 2-tert-butylsulfonyl-4-(4-chlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)butanenitrile IUPAC Name: 2-tert-butylsulfonyl-4-(4-chlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)butanenitrile Traditional Name: 2-tert-butylsulfonyl-4-(4-chlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)butyronitrile Formula: C17H21ClN4O2S MolecularWeight: 380.89224

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)S(=O)(=O)C(CCC1=CC=C(C=C1)Cl)(CN2C=NC=N2)C#N

Isomeric SMILES

CC(C)(C)S(=O)(=O)C(CCC1=CC=C(C=C1)Cl)(CN2C=NC=N2)C#N

InChI

InChI=1S/C17H21ClN4O2S/c1-16(2,3)25(23,24)17(10-19,11-22-13-20-12-21-22)9-8-14-4-6-15(18)7-5-14/h4-7,12-13H,8-9,11H2,1-3H3