4-[(Z)-(3-tert-butyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]benzenecarbonitrile

Systemtic Name: 4-[(Z)-(3-tert-butyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]benzenecarbonitrile Openeye Name: 4-[(Z)-(3-tert-butyl-5-thioxo-1H-1,2,4-triazol-4-yl)iminomethyl]benzonitrile CAS Name: 4-[(Z)-(3-tert-butyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]benzonitrile IUPAC Name: 4-[(Z)-(3-tert-butyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]benzonitrile Traditional Name: 4-[(Z)-(3-tert-butyl-5-thioxo-1H-1,2,4-triazol-4-yl)iminomethyl]benzonitrile Formula: C14H15N5S MolecularWeight: 285.3674

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NNC(=S)N1N=CC2=CC=C(C=C2)C#N

Isomeric SMILES

CC(C)(C)C1=NNC(=S)N1/N=C\C2=CC=C(C=C2)C#N

InChI

InChI=1S/C14H15N5S/c1-14(2,3)12-17-18-13(20)19(12)16-9-11-6-4-10(8-15)5-7-11/h4-7,9H,1-3H3,(H,18,20)/b16-9-