6-[[(3-tert-butyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)amino]methylidene]-3-propoxy-cyclohexa-2,4-dien-1-one

Systemtic Name: 6-[[(3-tert-butyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)amino]methylidene]-3-propoxy-cyclohexa-2,4-dien-1-one Openeye Name: 6-[[(3-tert-butyl-5-thioxo-1H-1,2,4-triazol-4-yl)amino]methylene]-3-propoxy-cyclohexa-2,4-dien-1-one CAS Name: 6-[[(3-tert-butyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)amino]methylidene]-3-propoxy-1-cyclohexa-2,4-dienone IUPAC Name: 6-[[(3-tert-butyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)amino]methylidene]-3-propoxycyclohexa-2,4-dien-1-one Traditional Name: 6-[[(3-tert-butyl-5-thioxo-1H-1,2,4-triazol-4-yl)amino]methylene]-3-propoxy-cyclohexa-2,4-dien-1-one Formula: C16H22N4O2S MolecularWeight: 334.43648

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC(=O)C(=CNN2C(=NNC2=S)C(C)(C)C)C=C1

Isomeric SMILES

CCCOC1=CC(=O)C(=CNN2C(=NNC2=S)C(C)(C)C)C=C1

InChI

InChI=1S/C16H22N4O2S/c1-5-8-22-12-7-6-11(13(21)9-12)10-17-20-14(16(2,3)4)18-19-15(20)23/h6-7,9-10,17H,5,8H2,1-4H3,(H,19,23)