(6Z)-6-[2-tert-butyl-5-(1H-1,2,4-triazol-5-ylsulfanyl)-1H-pyrimidin-6-ylidene]cyclohexa-2,4-dien-1-one

Systemtic Name: (6Z)-6-[2-tert-butyl-5-(1H-1,2,4-triazol-5-ylsulfanyl)-1H-pyrimidin-6-ylidene]cyclohexa-2,4-dien-1-one Openeye Name: (6Z)-6-[2-tert-butyl-5-(1H-1,2,4-triazol-5-ylsulfanyl)-1H-pyrimidin-6-ylidene]cyclohexa-2,4-dien-1-one CAS Name: (6Z)-6-[2-tert-butyl-5-(1H-1,2,4-triazol-5-ylthio)-1H-pyrimidin-6-ylidene]-1-cyclohexa-2,4-dienone IUPAC Name: (6Z)-6-[2-tert-butyl-5-(1H-1,2,4-triazol-5-ylsulfanyl)-1H-pyrimidin-6-ylidene]cyclohexa-2,4-dien-1-one Traditional Name: (6Z)-6-[2-tert-butyl-5-(1H-1,2,4-triazol-5-ylthio)-1H-pyrimidin-6-ylidene]cyclohexa-2,4-dien-1-one Formula: C16H17N5OS MolecularWeight: 327.40408

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NC=C(C(=C2C=CC=CC2=O)N1)SC3=NC=NN3

Isomeric SMILES

CC(C)(C)C1=NC=C(/C(=C/2\C=CC=CC2=O)/N1)SC3=NC=NN3

InChI

InChI=1S/C16H17N5OS/c1-16(2,3)14-17-8-12(23-15-18-9-19-21-15)13(20-14)10-6-4-5-7-11(10)22/h4-9H,1-3H3,(H,17,20)(H,18,19,21)/b13-10-