3-azanyl-5-(3,5-ditert-butyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-N-methyl-1H-1,2,4-triazole-2-carbothioamide

Systemtic Name: 3-azanyl-5-(3,5-ditert-butyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-N-methyl-1H-1,2,4-triazole-2-carbothioamide Openeye Name: 3-amino-5-(3,5-ditert-butyl-4-oxo-cyclohexa-2,5-dien-1-ylidene)-N-methyl-1H-1,2,4-triazole-2-carbothioamide CAS Name: 3-amino-5-(3,5-ditert-butyl-4-oxo-1-cyclohexa-2,5-dienylidene)-N-methyl-1H-1,2,4-triazole-2-carbothioamide IUPAC Name: 3-amino-5-(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)-N-methyl-1H-1,2,4-triazole-2-carbothioamide Traditional Name: 3-amino-5-(3,5-ditert-butyl-4-keto-cyclohexa-2,5-dien-1-ylidene)-N-methyl-1H-1,2,4-triazole-2-carbothioamide Formula: C18H27N5OS MolecularWeight: 361.50488

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C2NN(C(=N2)N)C(=S)NC)C=C(C1=O)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=C2NN(C(=N2)N)C(=S)NC)C=C(C1=O)C(C)(C)C

InChI

InChI=1S/C18H27N5OS/c1-17(2,3)11-8-10(9-12(13(11)24)18(4,5)6)14-21-15(19)23(22-14)16(25)20-7/h8-9,22H,1-7H3,(H2,19,21)(H,20,25)