4-[(1-tert-butyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-3-oxidanylidene-2-(4-phenyl-1,3-thiazol-2-yl)butanenitrile

Systemtic Name: 4-[(1-tert-butyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-3-oxidanylidene-2-(4-phenyl-1,3-thiazol-2-yl)butanenitrile Openeye Name: 4-(1-tert-butyltetrazol-5-yl)sulfanyl-3-oxo-2-(4-phenylthiazol-2-yl)butanenitrile CAS Name: 4-[(1-tert-butyl-5-tetrazolyl)thio]-3-oxo-2-(4-phenyl-2-thiazolyl)butanenitrile IUPAC Name: 4-(1-tert-butyltetrazol-5-yl)sulfanyl-3-oxo-2-(4-phenyl-1,3-thiazol-2-yl)butanenitrile Traditional Name: 4-[(1-tert-butyltetrazol-5-yl)thio]-3-keto-2-(4-phenylthiazol-2-yl)butyronitrile Formula: C18H18N6OS2 MolecularWeight: 398.50512

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C(=NN=N1)SCC(=O)C(C#N)C2=NC(=CS2)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)N1C(=NN=N1)SCC(=O)C(C#N)C2=NC(=CS2)C3=CC=CC=C3

InChI

InChI=1S/C18H18N6OS2/c1-18(2,3)24-17(21-22-23-24)27-11-15(25)13(9-19)16-20-14(10-26-16)12-7-5-4-6-8-12/h4-8,10,13H,11H2,1-3H3