4-[(2E)-2-[6-methyl-2-(phenylmethylsulfanyl)-1H-pyrimidin-4-ylidene]ethylidene]cyclohexa-2,5-dien-1-one

Systemtic Name: 4-[(2E)-2-[6-methyl-2-(phenylmethylsulfanyl)-1H-pyrimidin-4-ylidene]ethylidene]cyclohexa-2,5-dien-1-one Openeye Name: 4-[(2E)-2-(2-benzylsulfanyl-6-methyl-1H-pyrimidin-4-ylidene)ethylidene]cyclohexa-2,5-dien-1-one CAS Name: 4-[(2E)-2-[6-methyl-2-(phenylmethylthio)-1H-pyrimidin-4-ylidene]ethylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 4-[(2E)-2-(2-benzylsulfanyl-6-methyl-1H-pyrimidin-4-ylidene)ethylidene]cyclohexa-2,5-dien-1-one Traditional Name: 4-[(2E)-2-[2-(benzylthio)-6-methyl-1H-pyrimidin-4-ylidene]ethylidene]cyclohexa-2,5-dien-1-one Formula: C20H18N2OS MolecularWeight: 334.43472

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C2C=CC(=O)C=C2)N=C(N1)SCC3=CC=CC=C3

Isomeric SMILES

CC1=C/C(=C\C=C2C=CC(=O)C=C2)/N=C(N1)SCC3=CC=CC=C3

InChI

InChI=1S/C20H18N2OS/c1-15-13-18(10-7-16-8-11-19(23)12-9-16)22-20(21-15)24-14-17-5-3-2-4-6-17/h2-13H,14H2,1H3,(H,21,22)/b18-10+